--- Initiating Simulation (Waiting for processing) ---
STARTING AUTOMATION...
-------------------------------------
COPYING FILE 'input_cluster.txt' TO 'arquivos'...
DIRECTORY CHANGED TO 'arquivos'.
MPI LIBRARY FOUND AT: .
LD_LIBRARY_PATH VARIABLE EXPORTED.
--- Cleaning and Compiling 'randmscd_parallel' ---
mpic++ -c  -O3 -std=c++98 -Wall  -o userinfo.o userinfo.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o userutil.o userutil.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o cartesia.o cartesia.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o polation.o polation.cpp
polation.cpp: In destructor ‘Polation::~Polation()’:
polation.cpp:32:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   32 |   if (y2data) delete [] y2data; if (udata) delete [] udata;
      |   ^~
polation.cpp:32:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   32 |   if (y2data) delete [] y2data; if (udata) delete [] udata;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o curvefit.o curvefit.cpp
curvefit.cpp: In destructor ‘Curvefit::~Curvefit()’:
curvefit.cpp:11:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   11 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |   ^~
curvefit.cpp:11:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   11 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |                                 ^~
curvefit.cpp:12:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   12 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
curvefit.cpp:12:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   12 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
curvefit.cpp:13:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   13 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |   ^~
curvefit.cpp:13:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   13 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |                               ^~
curvefit.cpp:14:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   14 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |   ^~
curvefit.cpp:14:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   14 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |                             ^~
curvefit.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |   ^~
curvefit.cpp:16:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |                               ^~
curvefit.cpp: In member function ‘int Curvefit::netsearch()’:
curvefit.cpp:212:16: warning: ‘*’ in boolean context, suggest ‘&&’ instead [-Wint-in-bool-context]
  212 |       (atry[jc]*afit[jc]))
      |       ~~~~~~~~~^~~~~~~~~~
curvefit.cpp: In member function ‘int Curvefit::gausjord(float*, float*, int, int)’:
curvefit.cpp:525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  525 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |   ^~
curvefit.cpp:525:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  525 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |                              ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o pdinten.o pdinten.cpp
pdinten.cpp: In member function ‘int Pdintensity::loadintensity(char*, char*, int, float*, float*, float*, float*, float*)’:
pdinten.cpp:836:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  836 |   if (membuf) delete [] membuf; if (commentbuf) delete [] commentbuf;
      |   ^~
pdinten.cpp:836:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  836 |   if (membuf) delete [] membuf; if (commentbuf) delete [] commentbuf;
      |                                 ^~
pdinten.cpp:837:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  837 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
pdinten.cpp:837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  837 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
pdinten.cpp:838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  838 |   if (zdata) delete [] zdata; if (udata) delete [] udata;
      |   ^~
pdinten.cpp:838:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  838 |   if (zdata) delete [] zdata; if (udata) delete [] udata;
      |                               ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o pdintena.o pdintena.cpp
pdintena.cpp: In member function ‘int Pdintensity::chicalc(int)’:
pdintena.cpp:220:33: warning: suggest parentheses around ‘&&’ within ‘||’ [-Wparentheses]
  220 |   { if ((scanhun>1)&&(scanten<3)&&(chicommand==11)||
      |         ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
pdintena.cpp:299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  299 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
pdintena.cpp:299:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  299 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
pdintena.cpp:300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  300 |   if (zdata) delete [] zdata; if (ychi) delete [] ychi;
      |   ^~
pdintena.cpp:300:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  300 |   if (zdata) delete [] zdata; if (ychi) delete [] ychi;
      |                               ^~
pdintena.cpp: In member function ‘int Pdintensity::chicurve(int, int, float*, float*, float*)’:
pdintena.cpp:385:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |   if (xafit) delete [] xafit; if (abest) delete [] abest;
      |   ^~
pdintena.cpp:385:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |   if (xafit) delete [] xafit; if (abest) delete [] abest;
      |                               ^~
pdintena.cpp:386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  386 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
pdintena.cpp:386:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  386 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
pdintena.cpp: In member function ‘int Pdintensity::savecurve(char*, char*)’:
pdintena.cpp:500:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  500 |         fileout.string("datakind beginning-row linenumbers",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:501:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  501 |       else fileout.string("datakind beginning-row multi-curves",0,1);
      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:505:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  505 |         fileout.string("   angle-resolved photoemission extended fine");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:506:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  506 |         fileout.string(" structure (ARPEFS)",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:508:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  508 |         { fileout.string("   photoemission energy scan curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:510:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  510 |             "     parameters: curve point theta phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:514:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  514 |         { fileout.string("   photoemission energy scan hologram",
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:517:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  517 |             "     parameters: curve point theta phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:521:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  521 |         { fileout.string("   photoemission polar scan curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:523:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  523 |             "     parameters: curve point wavenum phi weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:527:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  527 |         { fileout.string("   photoemission azimuthal scan curves",
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:530:11: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  530 |           "     parameters: curve point wavenum theta weightc weighte",
      |           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:534:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  534 |         { fileout.string("   photoelectron diffraction curves",0,16+1);
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:536:13: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  536 |             "     parameters: curve point wavenum    weightc weighte",
      |             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:539:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  539 |         fileout.string("     columns: ");
      |                        ^~~~~~~~~~~~~~~~
pdintena.cpp:540:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  540 |         if ((scanuni==1)||(scanuni==5)) fileout.string("wavenum ");
      |                                                        ^~~~~~~~~~
pdintena.cpp:541:61: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  541 |         else if ((scanuni==2)||(scanuni==6)) fileout.string("theta ");
      |                                                             ^~~~~~~~
pdintena.cpp:542:61: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  542 |         else if ((scanuni==3)||(scanuni==7)) fileout.string("phi ");
      |                                                             ^~~~~~
pdintena.cpp:544:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  544 |           fileout.string("theta phi ");
      |                          ^~~~~~~~~~~~
pdintena.cpp:545:39: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  545 |         if (scanten<3) fileout.string("intensity background chical");
      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:546:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  546 |         else if (scanten<5) fileout.string("intlcp intrcp asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:547:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  547 |         else if (scanten<7) fileout.string("intmup intmdown asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:548:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  548 |         else if (scanten<9) fileout.string("intsup intsdown asymcal");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp:555:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  555 |         fileout.string("  ncurve npoint nk ntheta nphi nangle",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
pdintena.cpp: In member function ‘int Pdintensity::getcurvepar(int, int*, float*, float*, float*, float*, float*)’:
pdintena.cpp:726:7: warning: variable ‘j’ set but not used [-Wunused-but-set-variable]
  726 | { int j,k,scanuni;
      |       ^
mpic++ -c  -O3 -std=c++98 -Wall  -o fcomplex.o fcomplex.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o msfuncs.o msfuncs.cpp
mpic++ -c  -O3 -std=c++98 -Wall  -o pdchifit.o pdchifit.cpp
pdchifit.cpp: In destructor ‘Pdchifit::~Pdchifit()’:
pdchifit.cpp:12:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   12 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |   ^~
pdchifit.cpp:12:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   12 |   if (invsig) delete [] invsig; if (ymod) delete [] ymod;
      |                                 ^~
pdchifit.cpp:13:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   13 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
pdchifit.cpp:13:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   13 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
pdchifit.cpp:14:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   14 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |   ^~
pdchifit.cpp:14:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   14 |   if (yafit) delete [] yafit; if (dafit) delete [] dafit;
      |                               ^~
pdchifit.cpp:15:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   15 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |   ^~
pdchifit.cpp:15:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   15 |   if (atry) delete [] atry; if (beta) delete [] beta;
      |                             ^~
pdchifit.cpp:17:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   17 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |   ^~
pdchifit.cpp:17:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   17 |   if (covar) delete [] covar; if (alpha) delete [] alpha;
      |                               ^~
pdchifit.cpp: In member function ‘int Pdchifit::gausjord(float*, float*, int, int)’:
pdchifit.cpp:526:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  526 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |   ^~
pdchifit.cpp:526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  526 |   if (indxc) delete[] indxc; if (indxr) delete[] indxr;
      |                              ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o vibrate.o vibrate.cpp
vibrate.cpp: In member function ‘int Vibration::savecurve(char*, char*, float)’:
vibrate.cpp:186:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  186 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:189:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  189 |       fileout.string(" correlated thermal vibrational mean square ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:190:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  190 |       fileout.string("relative displacement",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:191:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  191 |       fileout.string("   versus interatomic distance",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:193:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  193 |       fileout.string("   density =");
      |                      ^~~~~~~~~~~~~~
vibrate.cpp:195:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  195 |       fileout.string(" g/cm3",0,1);
      |                      ^~~~~~~~
vibrate.cpp:196:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  196 |       fileout.string("   molecular weight =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:198:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  198 |       fileout.string(" amu     atomic weight =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:200:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  200 |       fileout.string(" amu",0,1);
      |                      ^~~~~~
vibrate.cpp:201:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  201 |       fileout.string("   debye and sample temperature =");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
vibrate.cpp:203:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |       fileout.string(" and "); fileout.floating(tsample,7.1f,256);
      |                      ^~~~~~~
vibrate.cpp:204:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  204 |       fileout.string(" K",0,1);
      |                      ^~~~
vibrate.cpp:205:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  205 |       fileout.string("idis",7,16); fileout.string("msrdis",14);
      |                      ^~~~~~
vibrate.cpp:205:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  205 |       fileout.string("idis",7,16); fileout.string("msrdis",14);
      |                                                   ^~~~~~~~
vibrate.cpp:206:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  206 |       fileout.string(" (units: angstrom angstrom2)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o meanpath.o meanpath.cpp
meanpath.cpp: In member function ‘int Meanpath::savecurve(char*, char*)’:
meanpath.cpp:185:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  185 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:189:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  189 |       { fileout.string("number of valence electrons =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:191:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  191 |         fileout.space(5); fileout.string("bandgap energy =");
      |                                          ^~~~~~~~~~~~~~~~~~
meanpath.cpp:193:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  193 |         fileout.string(" eV",0,1);
      |                        ^~~~~
meanpath.cpp:196:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  196 |       { fileout.string("electron attenuation length =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:198:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  198 |         fileout.string("*energy^");
      |                        ^~~~~~~~~~
meanpath.cpp:200:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  200 |         fileout.string(" angstroms",0,1);
      |                        ^~~~~~~~~~~~
meanpath.cpp:203:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |       { fileout.string("electron wave attenuation due to ");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:204:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  204 |         fileout.string("inelastic process not considered",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:207:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  207 |       { fileout.string("density of bulk =");
      |                        ^~~~~~~~~~~~~~~~~~~
meanpath.cpp:209:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  209 |         fileout.string(" g/cm3     molecular weight =");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meanpath.cpp:211:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  211 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
meanpath.cpp:213:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  213 |       fileout.string("k (1/angs)",10,16);
      |                      ^~~~~~~~~~~~
meanpath.cpp:214:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  214 |       fileout.string("lamda (angstrom)",17,1);
      |                      ^~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o phase.o phase.cpp
phase.cpp: In destructor ‘Phaseshift::~Phaseshift()’:
phase.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (phasea) delete [] phasea; if (phaseb) delete [] phaseb;
      |   ^~
phase.cpp:16:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (phasea) delete [] phasea; if (phaseb) delete [] phaseb;
      |                                 ^~
phase.cpp: In member function ‘int Phaseshift::savecurve(char*, char*)’:
phase.cpp:376:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  376 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:379:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  379 |       fileout.string(" phase shift data",0,2);
      |                      ^~~~~~~~~~~~~~~~~~~
phase.cpp:380:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  380 |       fileout.string("   parameters: number of wave vectors and");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:381:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  381 |       fileout.string(" quantum momenta",0,1);
      |                      ^~~~~~~~~~~~~~~~~~
phase.cpp:382:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  382 |       fileout.string("   columns: k (1/angstrom)   ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
phase.cpp:383:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  383 |       if (lnum<1) fileout.string("no phase shift data",0,1);
      |                                  ^~~~~~~~~~~~~~~~~~~~~
phase.cpp:385:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |       { fileout.string("phase (l = 0 - ");
      |                        ^~~~~~~~~~~~~~~~~
phase.cpp:386:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |         fileout.integer(lnum-1); fileout.string(") (radian)",0,1);
      |                                                 ^~~~~~~~~~~~
phase.cpp: In member function ‘int Phaseshift::kconfine(float*, float*, int*)’:
phase.cpp:419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  419 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |     ^~
phase.cpp:419:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  419 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |                             ^~
phase.cpp:420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  420 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |     ^~
phase.cpp:420:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  420 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |                                   ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o radmat.o radmat.cpp
radmat.cpp: In destructor ‘Radialmatrix::~Radialmatrix()’:
radmat.cpp:16:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   16 |   if (subshell) delete [] subshell; if (radmat) delete [] radmat;
      |   ^~
radmat.cpp:16:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   16 |   if (subshell) delete [] subshell; if (radmat) delete [] radmat;
      |                                     ^~
radmat.cpp: In member function ‘int Radialmatrix::savecurve(char*, char*)’:
radmat.cpp:282:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  282 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
radmat.cpp:287:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       fileout.string(" radial matrix data",0,2);
      |                      ^~~~~~~~~~~~~~~~~~~~~
radmat.cpp:288:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |       fileout.string("k",12); fileout.string("R(li+1)",15);
      |                      ^~~
radmat.cpp:288:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |       fileout.string("k",12); fileout.string("R(li+1)",15);
      |                                              ^~~~~~~~~
radmat.cpp:289:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  289 |       fileout.string("phase(li+1)",12);
      |                      ^~~~~~~~~~~~~
radmat.cpp:291:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  291 |       { fileout.string("R(li-1)",15);
      |                        ^~~~~~~~~
radmat.cpp:292:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  292 |         fileout.string("phase(li-1)",12,1);
      |                        ^~~~~~~~~~~~~
radmat.cpp: In member function ‘int Radialmatrix::kconfine(float*, float*)’:
radmat.cpp:320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  320 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |     ^~
radmat.cpp:320:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  320 |     if (*kmin<xa) *kmin=xa; if (*kmin>xb) *kmin=xb;
      |                             ^~
radmat.cpp:321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  321 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |     ^~
radmat.cpp:321:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  321 |     if (*kmax<*kmin) *kmax=*kmin; if (*kmax>xb) *kmax=xb;
      |                                   ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o rotamat.o rotamat.cpp
rotamat.cpp: In member function ‘int Rotamat::makecurve()’:
rotamat.cpp:285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  285 |   if (rotfac) delete [] rotfac; if (rotcoef) delete [] rotcoef;
      |   ^~
rotamat.cpp:285:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 |   if (rotfac) delete [] rotfac; if (rotcoef) delete [] rotcoef;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrun.o mscdrun.cpp
mscdrun.cpp: In destructor ‘Mscdrun::~Mscdrun()’:
mscdrun.cpp:27:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   27 |   if (finname) delete [] finname; if (foutname) delete [] foutname;
      |   ^~
mscdrun.cpp:27:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   27 |   if (finname) delete [] finname; if (foutname) delete [] foutname;
      |                                   ^~
mscdrun.cpp:28:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   28 |   if (rmfile) delete [] rmfile; if (psfile) delete [] psfile;
      |   ^~
mscdrun.cpp:28:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   28 |   if (rmfile) delete [] rmfile; if (psfile) delete [] psfile;
      |                                 ^~
mscdrun.cpp:29:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   29 |   if (lakatom) delete [] lakatom; if (layatom) delete [] layatom;
      |   ^~
mscdrun.cpp:29:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   29 |   if (lakatom) delete [] lakatom; if (layatom) delete [] layatom;
      |                                   ^~
mscdrun.cpp:30:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   30 |   if (pdnum) delete [] pdnum; if (tevenadd) delete [] tevenadd;
      |   ^~
mscdrun.cpp:30:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   30 |   if (pdnum) delete [] pdnum; if (tevenadd) delete [] tevenadd;
      |                               ^~
mscdrun.cpp:31:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   31 |   if (tevendim) delete [] tevendim; if (tevencut) delete [] tevencut;
      |   ^~
mscdrun.cpp:31:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   31 |   if (tevendim) delete [] tevendim; if (tevencut) delete [] tevencut;
      |                                     ^~
mscdrun.cpp:33:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   33 |   if (laycell) delete [] laycell; if (layorig) delete [] layorig;
      |   ^~
mscdrun.cpp:33:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   33 |   if (laycell) delete [] laycell; if (layorig) delete [] layorig;
      |                                   ^~
mscdrun.cpp:34:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   34 |   if (layfit)  delete [] layfit; if (laxcell) delete [] laxcell;
      |   ^~
mscdrun.cpp:34:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   34 |   if (layfit)  delete [] layfit; if (laxcell) delete [] laxcell;
      |                                  ^~
mscdrun.cpp:35:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   35 |   if (laxorig) delete [] laxorig; if (fitvars) delete [] fitvars;
      |   ^~
mscdrun.cpp:35:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   35 |   if (laxorig) delete [] laxorig; if (fitvars) delete [] fitvars;
      |                                   ^~
mscdrun.cpp:36:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   36 |   if (aweight) delete [] aweight; if (magamp) delete [] magamp;
      |   ^~
mscdrun.cpp:36:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   36 |   if (aweight) delete [] aweight; if (magamp) delete [] magamp;
      |                                   ^~
mscdrun.cpp:37:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   37 |   if (patom) delete [] patom; if (tevenpar) delete [] tevenpar;
      |   ^~
mscdrun.cpp:37:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   37 |   if (patom) delete [] patom; if (tevenpar) delete [] tevenpar;
      |                               ^~
mscdrun.cpp:38:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   38 |   if (devenpar) delete [] devenpar; if (talpha) delete [] talpha;
      |   ^~
mscdrun.cpp:38:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   38 |   if (devenpar) delete [] devenpar; if (talpha) delete [] talpha;
      |                                     ^~
mscdrun.cpp:39:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   39 |   if (tgamma) delete [] tgamma; if (fithist) delete [] fithist;
      |   ^~
mscdrun.cpp:39:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   39 |   if (tgamma) delete [] tgamma; if (fithist) delete [] fithist;
      |                                 ^~
mscdrun.cpp:45:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   45 |   if (radmatrix) delete radmatrix; if (meanpath) delete meanpath;
      |   ^~
mscdrun.cpp:45:36: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   45 |   if (radmatrix) delete radmatrix; if (meanpath) delete meanpath;
      |                                    ^~
mscdrun.cpp:47:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   47 |   if (evenmat) delete evenmat; if (termmat) delete termmat;
      |   ^~
mscdrun.cpp:47:32: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   47 |   if (evenmat) delete evenmat; if (termmat) delete termmat;
      |                                ^~
mscdrun.cpp:49:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   49 |   if (hanka) delete hanka; if (hankb) delete hankb;
      |   ^~
mscdrun.cpp:49:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   49 |   if (hanka) delete hanka; if (hankb) delete hankb;
      |                            ^~
mscdrun.cpp: In member function ‘int Mscdrun::receivejobs()’:
mscdrun.cpp:539:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  539 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp:544:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  544 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp: In member function ‘int Mscdrun::pasupimport(char*, int, int)’:
mscdrun.cpp:648:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  648 |     else if ((length<0)||(kb<sizeof(int))||(length!=kb)) ka=-1;
      |                           ~~^~~~~~~~~~~~
mscdrun.cpp: In member function ‘int Mscdrun::receivesup(int)’:
mscdrun.cpp:757:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  757 |       if ((error==0)&&(recsize>sizeof(int)))
      |                        ~~~~~~~^~~~~~~~~~~~
mscdrun.cpp:771:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  771 |         if ((error==0)&&(recsize>sizeof(int)))
      |                          ~~~~~~~^~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdruna.o mscdruna.cpp
mscdruna.cpp: In member function ‘int Mscdrun::readparameter()’:
mscdruna.cpp:90:17: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   90 |   char *unknown="unknown";
      |                 ^~~~~~~~~
mscdruna.cpp:503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  503 |   if (membuf) delete [] membuf; if (namebuf) delete [] namebuf;
      |   ^~
mscdruna.cpp:503:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  503 |   if (membuf) delete [] membuf; if (namebuf) delete [] namebuf;
      |                                 ^~
mscdruna.cpp:504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  504 |   if (fnamebuf) delete [] fnamebuf; if (expfile) delete [] expfile;
      |   ^~
mscdruna.cpp:504:37: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  504 |   if (fnamebuf) delete [] fnamebuf; if (expfile) delete [] expfile;
      |                                     ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrunb_not_reanalize.o mscdrunb_not_reanalize.cpp
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::paradisp()’:
mscdrunb_not_reanalize.cpp:29:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   29 |     { conout.string("  psfile: "); conout.string(psfile,20);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:41:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   41 |     { conout.string("  rmfile: "); conout.string(rmfile,20);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:43:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   43 |     conout.string("  pefile: "); conout.string(foutname,20,2);
      |                   ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:46:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   46 |     conout.string("scanmode dispmode tolerance",0,2);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:49:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   49 |     conout.string("   linitial lnum msorder raorder",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:52:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   52 |     conout.string("   totlayer finals fitmath trymax",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:55:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   55 |     conout.string("kmin kmax kstep",0,1);
      |                   ^~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:58:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   58 |     conout.string("dthetamin dthetamax dthetastep",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:61:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   61 |     conout.string("dphimin dphimax dphistep",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:64:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   64 |     conout.string("ltheta lphi beampol",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:67:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   67 |     conout.string("mtheta mphi accepang",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:70:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   70 |     conout.string("radius depth lattice",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:75:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   75 |     conout.string("   valence bandgap density mweight",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:80:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   80 |     conout.string("effective weight for kind 1-");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:86:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   86 |     conout.string("magnetization amplitude for kind 1-");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:94:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   94 |     conout.string(" vinner tdebye tsample pathcut",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:99:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   99 |     conout.string("fitting try for vinner, tdebye and lattice",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:107:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  107 |       conout.string("   layer katom emiter atoms",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:109:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  109 |       conout.string("   latoma(x1,x2) latomb(y1,y2)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:114:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  114 |       conout.string("   unita(len,ang) unitb(len,ang)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:119:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  119 |       conout.string("origin(len ang spacing)",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:124:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  124 |       conout.string("fitting try for spacing, length and units",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:137:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  137 |       conout.string("     no katom emiter x y z",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:141:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  141 |         conout.string("     nearest and farrest bonding length",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:157:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  157 |       conout.string("   no k dtheta dphi ltheta lphi",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:165:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  165 |     conout.string("   linitial lnum msorder raorder",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:168:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  168 |     conout.string("   natoms emiters katoms nlayer",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:171:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  171 |     conout.string("   scanmode nfit nfollow npoint",0,2);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::paradisplog()’:
mscdrunb_not_reanalize.cpp:185:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  185 |     { flogout->string("  psfile: "); flogout->string(psfile,20);
      |                       ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:197:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  197 |     { flogout->string("  rmfile: "); flogout->string(rmfile,20);
      |                       ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:199:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  199 |     flogout->string("  pefile: "); flogout->string(foutname,20,2);
      |                     ^~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:203:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  203 |     flogout->string("scanmode dispmode tolerance",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:206:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  206 |     flogout->string("   linitial lnum msorder raorder",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:209:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  209 |     flogout->string("   totlayer finals fitmath trymax",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:213:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  213 |     flogout->string("kmin kmax kstep",0,1);
      |                     ^~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:217:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  217 |     flogout->string("dthetamin dthetamax dthetastep",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:221:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  221 |     flogout->string("dphimin dphimax dphistep",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:225:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  225 |     flogout->string("ltheta lphi beampol",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:229:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  229 |     flogout->string("mtheta mphi accepang",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:233:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  233 |     flogout->string("radius depth lattice",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:238:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  238 |     flogout->string("   valence bandgap density mweight",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:243:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  243 |     flogout->string("effective weight for kind 1-");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:249:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  249 |     flogout->string("magnetization amplitude for kind 1-");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:257:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  257 |     flogout->string(" vinner tdebye tsample pathcut",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:262:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  262 |     flogout->string("fitting try for vinner, tdebye and lattice",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:270:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  270 |       flogout->string("   layer katom emiter atoms",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:272:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  272 |       flogout->string("   latoma(x1,x2) latomb(y1,y2)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:277:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  277 |       flogout->string("   unita(len,ang) unitb(len,ang)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:282:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  282 |       flogout->string("origin(len ang spacing)",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:287:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       flogout->string("fitting try for spacing, length and units",0,2);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:299:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  299 |       flogout->string("     no katom emiter x y z",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:303:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  303 |         flogout->string("     nearest and farrest bonding length",0,1);
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:319:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  319 |       flogout->string("   no k dtheta dphi ltheta lphi",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:326:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  326 |     flogout->string("   linitial lnum msorder raorder",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:329:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  329 |     flogout->string("   natoms emiters katoms nlayer",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:332:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  332 |     flogout->string("   scanmode nfit nfollow npoint",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::symtrivert()’:
mscdrunb_not_reanalize.cpp:361:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  361 |     conout.string("Analyzing, please wait ...",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:419:29: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  419 |               conout.string("Reanalyzing, please wait ...",0,1);
      |                             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:576:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  576 |       conout.string("   nsymm mscatter distribute percentages",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:579:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  579 |       conout.string("   ntrieven nscorse their percents",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:584:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  584 |   { flogout->string("Analyzed symmetries for ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:585:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  585 |     flogout->integer(analyze); flogout->string(" times",0,1);
      |                                                ^~~~~~~~
mscdrunb_not_reanalize.cpp:588:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  588 |     flogout->string("   nsymm mscatter distribute percentages",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:591:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  591 |     flogout->string("   ntrieven nscorse their percents",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp: In member function ‘int Mscdrun::symdblvert()’:
mscdrunb_not_reanalize.cpp:671:37: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  671 |     conout.space(19); conout.string("ndbleven percentage",0,1);
      |                                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunb_not_reanalize.cpp:676:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  676 |     flogout->space(19); flogout->string("ndbleven percentage",0,1);
      |                                         ^~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrunc.o mscdrunc.cpp
mscdrunc.cpp: In member function ‘int Mscdrun::alltrievent(int, float)’:
mscdrunc.cpp:265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  265 |       if (xd<xe) xd=xe; if (xc<xd) xc=xd;
      |       ^~
mscdrunc.cpp:265:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  265 |       if (xd<xe) xd=xe; if (xc<xd) xc=xd;
      |                         ^~
mscdrunc.cpp:266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  266 |       if (xb<xc) xb=xc; if (xa<xb) xa=xb;
      |       ^~
mscdrunc.cpp:266:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  266 |       if (xb<xc) xb=xc; if (xa<xb) xa=xb;
      |                         ^~
mscdrunc.cpp: In member function ‘int Mscdrun::precutable()’:
mscdrunc.cpp:287:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  287 |       conout.string("calculating vibrational coefficients ...",0,16+1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:289:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  289 |       flogout->string("calculating vibrational coefficients ...",
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |     if (vibrate) delete vibrate; vibrate=new Vibration;
      |     ^~
mscdrunc.cpp:291:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |     if (vibrate) delete vibrate; vibrate=new Vibration;
      |                                  ^~~~~~~
mscdrunc.cpp:298:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  298 |       conout.string("calculating rotational matrices ...",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:300:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |       flogout->string("calculating rotational matrices ...",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:301:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  301 |     if (evenmat) delete evenmat; evenmat=new Rotamat;
      |     ^~
mscdrunc.cpp:301:34: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  301 |     if (evenmat) delete evenmat; evenmat=new Rotamat;
      |                                  ^~~~~~~
mscdrunc.cpp:312:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  312 |       conout.string("calculating spherical expension coefficients ...",
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:315:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  315 |       "calculating spherical expension coefficients ...",0,2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |     if (hanka) delete hanka; if (hankb) delete hankb;
      |     ^~
mscdrunc.cpp:317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |     if (hanka) delete hanka; if (hankb) delete hankb;
      |                              ^~
mscdrunc.cpp:360:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  360 |       conout.string("setting up pre-cut table ...",0,2);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:362:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  362 |       flogout->string("setting up pre-cut table ...",0,2);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:465:31: warning: statement has no effect [-Wunused-value]
  465 |           else if (m>8) eledim>>24;
      |                         ~~~~~~^~~~
mscdrunc.cpp:553:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  553 |     { conout.string("This job allocated ",0,16);
      |                     ^~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:555:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  555 |       conout.string(" megabytes memory in ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:557:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  557 |       if (numpe<2) conout.string(" processor",0,2);
      |                                  ^~~~~~~~~~~~
mscdrunc.cpp:558:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  558 |       else conout.string(" processors",0,2);
      |                          ^~~~~~~~~~~~~
mscdrunc.cpp:564:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  564 |     conout.string("   trieven dbleven corse trielem",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:570:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  570 |       conout.string("   event percent (msorder=");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:571:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  571 |       conout.integer(m); conout.string(")",0,1);
      |                                        ^~~
mscdrunc.cpp:576:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  576 |     conout.string("   unique event percent",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:586:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  586 |     { flogout->string("This job allocated ",0,16);
      |                       ^~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:588:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  588 |       flogout->string(" megabytes memory in ");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:590:36: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  590 |       if (numpe<2) flogout->string(" processor",0,2);
      |                                    ^~~~~~~~~~~~
mscdrunc.cpp:591:28: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  591 |       else flogout->string(" processors",0,2);
      |                            ^~~~~~~~~~~~~
mscdrunc.cpp:598:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  598 |       flogout->string("   event percent (msorder=");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:599:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  599 |       flogout->integer(m); flogout->string(")",0,1);
      |                                            ^~~
mscdrunc.cpp:602:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  602 |     flogout->string("   unique event percent",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrunc.cpp:607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  607 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |   ^~
mscdrunc.cpp:607:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  607 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |                             ^~
mscdrunc.cpp:612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  612 |   if (talpha) delete [] talpha; if (tgamma) delete [] tgamma;
      |   ^~
mscdrunc.cpp:612:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  612 |   if (talpha) delete [] talpha; if (tgamma) delete [] tgamma;
      |                                 ^~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrund.o mscdrund.cpp
mscdrund.cpp: In member function ‘int Mscdrun::intensity(int, float*, float*, float*, float*)’:
mscdrund.cpp:288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  288 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |   ^~
mscdrund.cpp:288:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  288 |   if (asum) delete [] asum; if (bsum) delete [] bsum;
      |                             ^~
mscdrund.cpp: In member function ‘int Mscdrun::dispintensity(int, int, int, float, float, float, float, float, float)’:
mscdrund.cpp:306:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  306 |     if (msorder>1) conout.string("Multiple scattering",0,16);
      |                                  ^~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:307:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  307 |     else if (msorder==1) conout.string("Single scattering",0,16);
      |                                        ^~~~~~~~~~~~~~~~~~~
mscdrund.cpp:308:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  308 |     else conout.string("Photoemission",0,16);
      |                        ^~~~~~~~~~~~~~~
mscdrund.cpp:309:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  309 |     conout.string(" calculation (msorder=");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:310:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  310 |     conout.integer(msorder); conout.string(" raorder=");
      |                                            ^~~~~~~~~~~
mscdrund.cpp:311:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  311 |     conout.integer(raorder); conout.string(")",0,1);
      |                                            ^~~
mscdrund.cpp:315:36: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  315 |   { if (msorder>1) flogout->string("Multiple scattering",0,16);
      |                                    ^~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:316:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  316 |     else if (msorder==1) flogout->string("Single scattering",0,16);
      |                                          ^~~~~~~~~~~~~~~~~~~
mscdrund.cpp:317:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  317 |     else flogout->string("Photoemission",0,16);
      |                          ^~~~~~~~~~~~~~~
mscdrund.cpp:318:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  318 |     flogout->string(" calculation (msorder=");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:319:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  319 |     flogout->integer(msorder); flogout->string(" raorder=");
      |                                                ^~~~~~~~~~~
mscdrund.cpp:320:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  320 |     flogout->integer(raorder); flogout->string(")",0,1);
      |                                                ^~~
mscdrund.cpp:328:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  328 |     conout.string("deviation theta and phi",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:339:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  339 |       conout.string(" general vinner tdebye lattice",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:348:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  348 |         conout.string("   layer spacing length units",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:355:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  355 |     flogout->string("deviation theta and phi",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:367:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  367 |       flogout->string(" general vinner tdebye lattice",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:376:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  376 |         flogout->string("   layer spacing length units",0,1);
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:384:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  384 |     conout.floating(job,8.2f,256+16); conout.string("% of job ");
      |                                                     ^~~~~~~~~~~
mscdrund.cpp:385:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:386:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:390:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  390 |     conout.floating(job,8.2f,256+16); conout.string("% of try ");
      |                                                     ^~~~~~~~~~~
mscdrund.cpp:391:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |     conout.integer(trynum+1,3); conout.string(", job ");
      |                                               ^~~~~~~~
mscdrund.cpp:392:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  392 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:393:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  393 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:396:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  396 |   { flogout->floating(job,8.2f,256+16); flogout->string("% of job ");
      |                                                         ^~~~~~~~~~~
mscdrund.cpp:397:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  397 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:398:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  398 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:402:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  402 |   { flogout->floating(job,8.2f,256+16); flogout->string("% of try ");
      |                                                         ^~~~~~~~~~~
mscdrund.cpp:403:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  403 |     flogout->integer(trynum+1,3); flogout->string(", job ");
      |                                                   ^~~~~~~~
mscdrund.cpp:404:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  404 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:405:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  405 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:411:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |     conout.string("number",6,16); conout.string("kout",15);
      |                   ^~~~~~~~
mscdrund.cpp:411:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |     conout.string("number",6,16); conout.string("kout",15);
      |                                                 ^~~~~~
mscdrund.cpp:412:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |     conout.string("theta",15); conout.string("phi",15);
      |                   ^~~~~~~
mscdrund.cpp:412:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |     conout.string("theta",15); conout.string("phi",15);
      |                                              ^~~~~
mscdrund.cpp:413:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  413 |     conout.string("intensity",15,1);
      |                   ^~~~~~~~~~~
mscdrund.cpp:422:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  422 |     conout.floating(job,8.2f,256); conout.string("% of job ");
      |                                                  ^~~~~~~~~~~
mscdrund.cpp:423:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  423 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:424:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  424 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:428:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  428 |     conout.floating(job,8.2f,256); conout.string("% of try ");
      |                                                  ^~~~~~~~~~~
mscdrund.cpp:429:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  429 |     conout.integer(trynum+1,4); conout.string(", job ");
      |                                               ^~~~~~~~
mscdrund.cpp:430:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  430 |     conout.integer(jobnum+1,3); conout.string(" of ");
      |                                               ^~~~~~
mscdrund.cpp:431:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  431 |     conout.integer(jobtotal,3); conout.string(" completed.",0,1);
      |                                               ^~~~~~~~~~~~~
mscdrund.cpp:434:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |   { flogout->string("number",6,16); flogout->string("kout",15);
      |                     ^~~~~~~~
mscdrund.cpp:434:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |   { flogout->string("number",6,16); flogout->string("kout",15);
      |                                                     ^~~~~~
mscdrund.cpp:435:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  435 |     flogout->string("theta",15); flogout->string("phi",15);
      |                     ^~~~~~~
mscdrund.cpp:435:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  435 |     flogout->string("theta",15); flogout->string("phi",15);
      |                                                  ^~~~~
mscdrund.cpp:436:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  436 |     flogout->string("intensity",15,1);
      |                     ^~~~~~~~~~~
mscdrund.cpp:445:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  445 |   { flogout->floating(job,8.2f,256); flogout->string("% of job ");
      |                                                      ^~~~~~~~~~~
mscdrund.cpp:446:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  446 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:447:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  447 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:451:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  451 |   { flogout->floating(job,8.2f,256); flogout->string("% of try ");
      |                                                      ^~~~~~~~~~~
mscdrund.cpp:452:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  452 |     flogout->integer(trynum+1,4); flogout->string(", job ");
      |                                                   ^~~~~~~~
mscdrund.cpp:453:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  453 |     flogout->integer(jobnum+1,3); flogout->string(" of ");
      |                                                   ^~~~~~
mscdrund.cpp:454:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  454 |     flogout->integer(jobtotal,3); flogout->string(" completed.",0,1);
      |                                                   ^~~~~~~~~~~~~
mscdrund.cpp:460:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  460 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:461:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  461 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:462:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  462 |     conout.string(" completed.",0,1);
      |                   ^~~~~~~~~~~~~
mscdrund.cpp:466:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  466 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:467:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  467 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:468:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  468 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:474:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  474 |     conout.string("TRY ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:475:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  475 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:476:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  476 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:477:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  477 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:483:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  483 |     conout.string("Try ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:484:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  484 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:485:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  485 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:486:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  486 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:492:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  492 |     conout.string("try ",0,16); conout.integer(trynum+1,4);
      |                   ^~~~~~
mscdrund.cpp:493:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  493 |     conout.string(", job "); conout.integer(jobnum+1,3);
      |                   ^~~~~~~~
mscdrund.cpp:494:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  494 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:495:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  495 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:501:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  501 |     conout.string("job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrund.cpp:502:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  502 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrund.cpp:503:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  503 |     conout.string(" completed, factors = ");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:512:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  512 |   { flogout->string("job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrund.cpp:513:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  513 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:514:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  514 |     flogout->string(" completed.",0,1);
      |                     ^~~~~~~~~~~~~
mscdrund.cpp:519:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  519 |   { flogout->string("job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrund.cpp:520:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  520 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:521:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  521 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:528:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  528 |   { flogout->string("TRY ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:529:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  529 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:530:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  530 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:531:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  531 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:538:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  538 |   { flogout->string("Try ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:539:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  539 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:540:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  540 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:541:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  541 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrund.cpp:548:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  548 |   { flogout->string("try ",0,16); flogout->integer(trynum+1,4);
      |                     ^~~~~~
mscdrund.cpp:549:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  549 |     flogout->string(", job "); flogout->integer(jobnum+1,3);
      |                     ^~~~~~~~
mscdrund.cpp:550:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  550 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrund.cpp:551:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  551 |     flogout->string(" completed, factors = ");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdrune.o mscdrune.cpp
mscdrune.cpp: In member function ‘int Mscdrun::fitarpefs(Mscdrun*)’:
mscdrune.cpp:178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  178 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |   ^~
mscdrune.cpp:178:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  178 |   if (xdata) delete [] xdata; if (ydata) delete [] ydata;
      |                               ^~
mscdrune.cpp:179:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  179 |   if (ybest) delete [] ybest; if (abest) delete [] abest;
      |   ^~
mscdrune.cpp:179:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  179 |   if (ybest) delete [] ybest; if (abest) delete [] abest;
      |                               ^~
mscdrune.cpp:180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  180 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |   ^~
mscdrune.cpp:180:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  180 |   if (afit) delete [] afit; if (safit) delete [] safit;
      |                             ^~
mscdrune.cpp: In member function ‘int Mscdrun::savecurve(char*, char*)’:
mscdrune.cpp:207:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  207 |         fileout.string("datakind beginning-row linenumbers",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:208:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  208 |       else fileout.string("datakind beginning-row multi-curves",0,1);
      |                           ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:210:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  210 |       fileout.string(" angle-resolved photoemission extended fine");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:211:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  211 |       fileout.string(" structure (ARPEFS)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:212:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  212 |       fileout.string(" multiple scattering calculation of ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:214:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  214 |       fileout.string(" calculated by ");
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:215:48: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  215 |       fileout.string(username); fileout.string(" on ");
      |                                                ^~~~~~
mscdrune.cpp:218:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  218 |       fileout.string("   initial angular momentum (li) = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:219:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  219 |       fileout.integer(linitial); fileout.string("   msorder= ");
      |                                                 ^~~~~~~~~~~~~~
mscdrune.cpp:220:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  220 |       fileout.integer(msorder,2); fileout.string("   raorder=");
      |                                                  ^~~~~~~~~~~~~
mscdrune.cpp:223:9: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  223 |         "   photon polarization angle (polar,azimuth) =(");
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:226:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  226 |       fileout.string(" ) (deg)",0,1);
      |                      ^~~~~~~~~~
mscdrune.cpp:227:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  227 |       fileout.string("   radius, depth and lattice constant=",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:228:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  228 |       fileout.floating(radius,6.1f,256); fileout.string(",");
      |                                                         ^~~
mscdrune.cpp:229:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  229 |       fileout.floating(depth,6.1f,256); fileout.string(" and ");
      |                                                        ^~~~~~~
mscdrune.cpp:231:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  231 |       fileout.string(" angstrom",0,1);
      |                      ^~~~~~~~~~~
mscdrune.cpp:232:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  232 |       fileout.string("   cluster size="); fileout.integer(natoms,4);
      |                      ^~~~~~~~~~~~~~~~~~
mscdrune.cpp:233:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  233 |       fileout.string(" atoms and spacings=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:238:38: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  238 |       if (totlayer>3) fileout.string(" angs",0,1);
      |                                      ^~~~~~~
mscdrune.cpp:239:27: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  239 |       else fileout.string(" angstrom",0,1);
      |                           ^~~~~~~~~~~
mscdrune.cpp:240:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  240 |       fileout.string("   inner potential=");
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:242:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  242 |       fileout.string(" V  debye and sample temperature=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:243:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  243 |       fileout.integer((int)tdebye,4); fileout.string(",");
      |                                                      ^~~
mscdrune.cpp:244:55: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  244 |       fileout.integer((int)tsample,4); fileout.string(" K",0,1);
      |                                                       ^~~~
mscdrune.cpp:246:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  246 |       { fileout.string("   number of valence electrons=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:248:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  248 |         fileout.string("     bandgap energy=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:250:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  250 |         fileout.string(" eV",0,1);
      |                        ^~~~~
mscdrune.cpp:253:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  253 |       { fileout.string("   electron attenuation length=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:255:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  255 |         fileout.string("*energy^");
      |                        ^~~~~~~~~~
mscdrune.cpp:257:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  257 |         fileout.string(" angstrom",0,1);
      |                        ^~~~~~~~~~~
mscdrune.cpp:260:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  260 |       { fileout.string("   electron wave attenuation due to inelastic");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:261:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  261 |         fileout.string(" process not considered",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:263:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  263 |       fileout.string("   density of bulk=");
      |                      ^~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:265:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  265 |       fileout.string(" g/cm3     molecular weight=");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:267:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  267 |       fileout.string(" amu",0,1);
      |                      ^~~~~~
mscdrune.cpp:269:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  269 |       { fileout.string("   effective weight=");
      |                        ^~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:271:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  271 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
mscdrune.cpp:274:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  274 |       { fileout.string("   effective weight for kind 1-");
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:275:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  275 |         fileout.integer(katoms); fileout.string(" =");
      |                                                 ^~~~
mscdrune.cpp:277:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  277 |         fileout.string(" amu",0,1);
      |                        ^~~~~~
mscdrune.cpp:279:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  279 |       fileout.string("   half aperture angle= ");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:280:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  280 |       fileout.floating(accepang,6.1f,256); fileout.string(" deg");
      |                                                           ^~~~~~
mscdrune.cpp:281:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  281 |       fileout.space(12); fileout.string("pathcut= ");
      |                                         ^~~~~~~~~~~
mscdrune.cpp:288:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  288 |         fileout.string("   photoemission energy scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:290:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  290 |         fileout.string("   photoemission energy scan hologram",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:292:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  292 |         fileout.string("   photoemission polar scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:294:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  294 |         fileout.string("   photoemission azimuthal scan curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:296:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  296 |         fileout.string("   photoelectron diffraction curves",0,16+1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:298:9: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  298 |         "     parameters: curve point theta phi weightc weighte",0,1);
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:299:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  299 |       fileout.string("     columns: ");
      |                      ^~~~~~~~~~~~~~~~
mscdrune.cpp:300:54: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |       if ((scanuni==1)||(scanuni==5)) fileout.string("wavevec ");
      |                                                      ^~~~~~~~~~
mscdrune.cpp:301:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  301 |       else if ((scanuni==2)||(scanuni==6)) fileout.string("theta ");
      |                                                           ^~~~~~~~
mscdrune.cpp:302:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  302 |       else if ((scanuni==3)||(scanuni==7)) fileout.string("phi ");
      |                                                           ^~~~~~
mscdrune.cpp:303:59: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  303 |       else if ((scanuni==4)||(scanuni==8)) fileout.string("theta phi ");
      |                                                           ^~~~~~~~~~~~
mscdrune.cpp:304:37: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  304 |       if (scanten<3) fileout.string("intensity background chical");
      |                                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:305:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  305 |       else if (scanten<5) fileout.string("intlcp intrcp asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:306:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  306 |       else if (scanten<7) fileout.string("intmup intmdown asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:307:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  307 |       else if (scanten<9) fileout.string("intsup intsdown asymcal");
      |                                          ^~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:308:52: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  308 |       if ((fitmode>0)&&(scanten<3)) fileout.string(" chiexp");
      |                                                    ^~~~~~~~~
mscdrune.cpp:309:57: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  309 |       else if ((fitmode>0)&&(scanten<9)) fileout.string(" asymexp");
      |                                                         ^~~~~~~~~~
mscdrune.cpp:314:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  314 |       fileout.string("  ncurve npoint nk ntheta nphi nangle",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:391:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |     { fileout.string("fitted parameters ( nfit = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:392:47: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  392 |       fileout.integer(nfit,2); fileout.string("  nfollow = ");
      |                                               ^~~~~~~~~~~~~~
mscdrune.cpp:393:50: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  393 |       fileout.integer(nfollow,2); fileout.string("  )",0,1);
      |                                                  ^~~~~
mscdrune.cpp:394:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  394 |       fileout.string("   r-factora = ",0,16);
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:396:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  396 |       fileout.string("   r-factorb = ");
      |                      ^~~~~~~~~~~~~~~~~
mscdrune.cpp:402:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  402 |       fileout.string("general vinner tdebye lattice",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:409:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  409 |         fileout.string("  layer spacing length units",0,1);
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:411:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  411 |       fileout.space(43); fileout.string("unit: lattice constant",0,2);
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:412:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  412 |       fileout.string("   r-factora=sum((chic-chie)*(chic-chie))");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:413:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  413 |       fileout.string("/(sum(chic*chic+chie*chie)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:414:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  414 |       fileout.string("   r-factorb=sum(chic*chic-chie*chie)");
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:415:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  415 |       fileout.string("/sum(chic*chic+chie*chie)",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:420:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  420 |     { fileout.string("fitting history (",0,16);
      |                      ^~~~~~~~~~~~~~~~~~~
mscdrune.cpp:421:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  421 |       fileout.integer(trynum,3); fileout.string(" trials )",0,2);
      |                                                 ^~~~~~~~~~~
mscdrune.cpp:426:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  426 |         fileout.string("  factors = ");
      |                        ^~~~~~~~~~~~~~
mscdrune.cpp:430:40: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  430 |         if (afitmath>2) fileout.string("Netsearch",0,1);
      |                                        ^~~~~~~~~~~
mscdrune.cpp:431:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  431 |         else if (afitmath==2) fileout.string("Downhill",0,1);
      |                                              ^~~~~~~~~~
mscdrune.cpp:432:46: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  432 |         else if (afitmath==1) fileout.string("Marquardt",0,1);
      |                                              ^~~~~~~~~~~
mscdrune.cpp:434:42: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  434 |         fileout.space(6); fileout.string("  fitvars = ");
      |                                          ^~~~~~~~~~~~~~
mscdrune.cpp:451:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  451 |       "processor time distribution (in seconds or percent)",0,32+2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:452:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  452 |     conout.string(" pid computation   sending  receiving      idle");
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:453:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  453 |     conout.string(" comput send receiv  idle",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:458:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  458 |       else conout.string(" sum");
      |                          ^~~~~~
mscdrune.cpp:465:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  465 |     conout.string("Job ",0,16); conout.integer(jobnum+1,3);
      |                   ^~~~~~
mscdrune.cpp:466:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  466 |     conout.string(" of "); conout.integer(jobtotal,3);
      |                   ^~~~~~
mscdrune.cpp:467:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  467 |     conout.string(" total time of "); conout.integer(numpe,3);
      |                   ^~~~~~~~~~~~~~~~~
mscdrune.cpp:468:32: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  468 |     if (numpe<2) conout.string(" processor = ");
      |                                ^~~~~~~~~~~~~~~
mscdrune.cpp:469:24: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  469 |     else conout.string(" processors = ");
      |                        ^~~~~~~~~~~~~~~~
mscdrune.cpp:471:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  471 |     conout.string(" seconds",0,1);
      |                   ^~~~~~~~~~
mscdrune.cpp:475:7: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  475 |       "processor time distribution (in seconds or percent)",0,32+2);
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:476:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  476 |     flogout->string(" pid computation   sending  receiving      idle");
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:477:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  477 |     flogout->string(" comput send receiv  idle",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdrune.cpp:482:28: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  482 |       else flogout->string(" sum");
      |                            ^~~~~~
mscdrune.cpp:489:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  489 |     flogout->string("Job ",0,16); flogout->integer(jobnum+1,3);
      |                     ^~~~~~
mscdrune.cpp:490:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  490 |     flogout->string(" of "); flogout->integer(jobtotal,3);
      |                     ^~~~~~
mscdrune.cpp:491:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  491 |     flogout->string(" total time of "); flogout->integer(numpe,3);
      |                     ^~~~~~~~~~~~~~~~~
mscdrune.cpp:492:34: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  492 |     if (numpe<2) flogout->string(" processor = ");
      |                                  ^~~~~~~~~~~~~~~
mscdrune.cpp:493:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  493 |     else flogout->string(" processors = ");
      |                          ^~~~~~~~~~~~~~~~
mscdrune.cpp:495:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  495 |     flogout->string(" seconds",0,1);
      |                     ^~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdjob.o mscdjob.cpp
mscdjob.cpp: In member function ‘int Mscdjob::receivejobs()’:
mscdjob.cpp:141:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare]
  141 |     if ((error==0)&&(recsize>sizeof(int)))
      |                      ~~~~~~~^~~~~~~~~~~~
mscdjob.cpp: In member function ‘int Mscdjob::takejob(char*)’:
mscdjob.cpp:273:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  273 |   if (membuf) delete [] membuf; if (filebuf) delete [] filebuf;
      |   ^~
mscdjob.cpp:273:33: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  273 |   if (membuf) delete [] membuf; if (filebuf) delete [] filebuf;
      |                                 ^~
mscdjob.cpp: In member function ‘int Mscdjob::listjob(char*, char*)’:
mscdjob.cpp:300:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  300 |     conout.string(" Job report",0,1);
      |                   ^~~~~~~~~~~~~
mscdjob.cpp:305:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  305 |       { conout.string("       result saved in file ");
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:314:19: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  314 |     conout.string(" Job report saved in file mscdout.txt",0,1);
      |                   ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:316:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  316 |       conout.string(" Messages saved in file mscdlist.txt",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:321:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  321 |     flogout->string(" Job report",0,1);
      |                     ^~~~~~~~~~~~~
mscdjob.cpp:326:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  326 |       { flogout->string("       result saved in file ");
      |                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:335:21: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  335 |     flogout->string(" Job report saved in file mscdout.txt",0,1);
      |                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:337:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  337 |       flogout->string(" Messages saved in file mscdlist.txt",0,1);
      |                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:351:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  351 |       fileout.string("datakind beginning-row linenumbers",0,1);
      |                      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp:354:22: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  354 |       fileout.string(" Job report",0,1);
      |                      ^~~~~~~~~~~~~
mscdjob.cpp:360:26: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  360 |         { fileout.string("       result saved in file ");
      |                          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdjob.cpp: In member function ‘int Mscdjob::execute(char*)’:
mscdjob.cpp:385:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  385 |         conout.string("Job "); conout.integer(jobnum+1,3);
      |                       ^~~~~~
mscdjob.cpp:386:23: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  386 |         conout.string(" of "); conout.integer(jobtotal,3,1);
      |                       ^~~~~~
mscdjob.cpp:390:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  390 |         flogout->string("Job "); flogout->integer(jobnum+1,3);
      |                         ^~~~~~
mscdjob.cpp:391:25: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  391 |         flogout->string(" of "); flogout->integer(jobtotal,3,1);
      |                         ^~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o mscdmain.o mscdmain.cpp
mscdmain.cpp: In function ‘int main(int, char**)’:
mscdmain.cpp:17:32: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   17 |   userinfo.loadparameter(1.37f,"MSCD",
      |                                ^~~~~~
mscdmain.cpp:18:5: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   18 |     "Yufeng Chen and Michel A Van Hove",
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdmain.cpp:19:5: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   19 |     "Calculation of photoelectron diffraction and dichroism",machine);
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mscdmain.cpp:28:53: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   28 |     if ((error==0)&&(argc<2)) error=mscdjob.takejob("mscdin.txt");
      |                                                     ^~~~~~~~~~~~
mscdmain.cpp:46:41: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
   46 |   { if (error==0) error=mscdjob.listjob("mscdout.txt",userinfo.usermsg);
      |                                         ^~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o jobtime.o jobtime.cpp
jobtime.cpp: In member function ‘int Jobtime::timestamp(Textout&)’:
jobtime.cpp:115:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  115 |     textout.string("This calculation ",0,16);
      |                    ^~~~~~~~~~~~~~~~~~~
jobtime.cpp:116:56: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  116 |     if ((timecpu<0.0)||(timecpu>2.0e7)) textout.string("was made on ");
      |                                                        ^~~~~~~~~~~~~~
jobtime.cpp:118:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  118 |     { k=(int)(timecpu+0.5); textout.string("took ");
      |                                            ^~~~~~~
jobtime.cpp:119:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  119 |       textout.integer(k,4); textout.string(" processor seconds on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:122:49: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  122 |     { k=(int)(timecpu/60.0+0.5); textout.string("took ");
      |                                                 ^~~~~~~
jobtime.cpp:123:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  123 |       textout.integer(k,4); textout.string(" processor minutes on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:126:51: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  126 |     { k=(int)(timecpu/3600.0+0.5); textout.string("took ");
      |                                                   ^~~~~~~
jobtime.cpp:127:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  127 |       textout.integer(k,4); textout.string(" processor hours on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:130:52: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  130 |     { k=(int)(timecpu/8.64e4+0.5);  textout.string("took ");
      |                                                    ^~~~~~~
jobtime.cpp:131:44: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  131 |       textout.integer(k,4); textout.string(" processor days on ");
      |                                            ^~~~~~~~~~~~~~~~~~~~~
jobtime.cpp:134:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  134 |     textout.string("     starting on ");
      |                    ^~~~~~~~~~~~~~~~~~~
jobtime.cpp:136:20: warning: deprecated conversion from string constant to ‘char*’ [-Wwrite-strings]
  136 |     textout.string("   and ending on ");
      |                    ^~~~~~~~~~~~~~~~~~~
mpic++ -c  -O3 -std=c++98 -Wall  -o userCluster.o userCluster.cpp
mpic++  -O3 -std=c++98 -Wall userinfo.o userutil.o cartesia.o polation.o curvefit.o pdinten.o pdintena.o fcomplex.o msfuncs.o pdchifit.o vibrate.o meanpath.o phase.o radmat.o rotamat.o mscdrun.o mscdruna.o mscdrunb_not_reanalize.o mscdrunc.o mscdrund.o mscdrune.o mscdjob.o mscdmain.o jobtime.o userCluster.o -o randmscd_parallel
--- Cleaning and Compiling 'phsh0' ---
gfortran -O3  -c -o abinitio.o abinitio.f
abinitio.f:17:72:

   17 |         do 10 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1)
abinitio.f:37:72:

   37 |         do 100 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
gfortran -O3  -c -o atsolve.o atsolve.f
gfortran -O3  -c -o augment.o augment.f
gfortran -O3  -c -o clebschgordan.o clebschgordan.f
clebschgordan.f:32:72:

   32 |         do 100 l2=0,l1
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:34:72:

   34 |         do 100 m1=-l1,l1
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:35:72:

   35 |         do 100 m2=-l2,l2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
clebschgordan.f:39:72:

   39 |         do 100 l3=lmin,l1+l2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1)
gfortran -O3  -c -o elsolve.o elsolve.f
gfortran -O3  -c -o exchcorr.o exchcorr.f
gfortran -O3  -c -o fitx0.o fitx0.f
gfortran -O3  -c -o fourier.o fourier.f
gfortran -O3  -c -o getillls.o getillls.f
getillls.f:15:72:

   15 |         DO 1000 M=0,8
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1000 at (1)
getillls.f:16:72:

   16 |         DO 1000 N=M+L,0,-2
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1000 at (1)
getillls.f:24:72:

   24 |         DO 500 IB=LL,L
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 500 at (1)
getillls.f:26:72:

   26 |         DO 500 IC=MM,M
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 500 at (1)
gfortran -O3  -c -o getpot.o getpot.f
getpot.f:25:72:

   25 |         do 2100 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2100 at (1)
getpot.f:38:72:

   38 |         do 2990 j=jstart,nel
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2990 at (1)
getpot.f:95:72:

   95 |         do 2550 k=2,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 2550 at (1)
gfortran -O3  -c -o hb.o hb.f
gfortran -O3  -c -o hfdisk.o hfdisk.f
gfortran -O3  -c -o initiali.o initiali.f
gfortran -O3  -c -o integ.o integ.f
gfortran -O3  -c -o parabreg.o parabreg.f
gfortran -O3  -c -o phsh0.o phsh0.f
gfortran -O3  -c -o pseudize.o pseudize.f
gfortran -O3  -c -o pseudo.o pseudo.f
pseudo.f:72:72:

   72 |         do 1210 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1210 at (1)
pseudo.f:78:72:

   78 |         do 1212 k=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1212 at (1)
pseudo.f:90:72:

   90 |         do 1250 j=1,nr
      |                                                                               1
Warning: Fortran 2018 deleted feature: Shared DO termination label 1250 at (1)
gfortran -O3  -c -o setgrid.o setgrid.f
gfortran -O3  -c -o setqmm.o setqmm.f
gfortran -O3 abinitio.o atsolve.o augment.o clebschgordan.o elsolve.o exchcorr.o fitx0.o fourier.o getillls.o getpot.o hb.o hfdisk.o initiali.o integ.o parabreg.o phsh0.o pseudize.o pseudo.o setgrid.o setqmm.o -lm -o phsh0
--- Cleaning and Compiling 'poconv' ---
--- ALL COMPILATIONS COMPLETE ---
PERFORMING CLEANUP OF OLD OUTPUT FILES...
CLEANUP COMPLETE.
EXECUTING PYTHON SCRIPTS...

Procurando pelo parâmetro de rede (lattice) em: input_cluster.txt
AVISO: Parâmetro de rede 'lattice(angs)' não encontrado. Usando padrão 1.0.
Lendo o arquivo de configuração do cluster: input_cluster.txt
ERRO: Não foi possível encontrar o início dos dados da camada.

Lendo a ordem dos elementos do cabeçalho de: input_cluster.txt
Ordem de elementos para mufftin.d definida pelo cabeçalho: []
 Slab or Bulk calculation?
 input 1 for Slab or 0 for Bulk
 Input the MTZ value from the substrate calculation
-----------------------------------------------------------------
Conversion of traditional potential data to mscd format
POCONV Version 1.20 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------

Enter name of input traditional format potential file
Enter name of output mscd format potential file
Enter name of the atom (e.g. Copper): Enter symbol of the atom (e.g. Cu): calculated 177 points

Program terminated normally
-----------------------------------------------------------------
Conversion of traditional potential data to mscd format
POCONV Version 1.20 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------

Enter name of input traditional format potential file
Enter name of output mscd format potential file
Enter name of the atom (e.g. Copper): Enter symbol of the atom (e.g. Cu): calculated 178 points

Program terminated normally
--- Iniciando Etapa 1: Cálculo Bulk (opção 0) ---
Saída do cálculo Bulk:
 Slab or Bulk calculation?
 input 1 for Slab or 0 for Bulk
 If you are interested in adatoms on this substrate
 rerun a slab calculation with the adatoms
 and use this MTZ value as input when asked 
 -1.12277341

+++ Valor MTZ extraído com sucesso: -1.12277341 +++

--- Iniciando Etapa 2: Cálculo Slab (opção 1) ---
Enviando para o programa:
1
-1.12277341

--- Sequência de cálculo concluída com sucesso! ---

--- Iniciando Etapa 3: Divisão do arquivo mufftin.d ---
Encontrados 2 blocos de dados. Iniciando a divisão...
Arquivo 'mufftin1.d' criado com sucesso.
Arquivo 'mufftin2.d' criado com sucesso.
--- Divisão de arquivos concluída. ---

--- Iniciando Etapa 4: Execução do ./poconv ---
Arquivos encontrados para processar: mufftin1.d, mufftin2.d

Processando 'mufftin1.d' -> 'ps1.txt'...
'ps1.txt' criado com sucesso.

Processando 'mufftin2.d' -> 'ps2.txt'...
'ps2.txt' criado com sucesso.
--- Execução do poconv concluída. ---

--- Lendo informações de elementos de input_cluster.txt ---
Traceback (most recent call last):
  File "/app/arquivos/leitoF.py", line 134, in <module>
    cabecalho = gerar_cabecalho("input_cluster.txt")
  File "/app/arquivos/leitoF.py", line 82, in gerar_cabecalho
    parts = lines[i].split()
IndexError: list index out of range
DADOS PROCESSADOS E ADICIONADOS A 'output_header.txt'.
EXECUTING RANDMSCD PROGRAM...
-----------------------------------------------------------------
Calculation of photoelectron diffraction and dichroism
MSCD Parallel  Version 1.37 Yufeng Chen and Michel A Van Hove
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720
Copyright (c) Van Hove Group 1997-1998. All rights reserved
-----------------------------------------------------------------


Error 207, mscd input data format error, program terminated
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[49646,1],1]
  Exit code:    241
--------------------------------------------------------------------------
-------------------------------------
🔍 PADRONIZANDO ARQUIVO DE SAÍDA (teory.out)...
   -> Output detectado: teory.out
cp: 'teory.out' and 'teory.out' are the same file
   ✅ Sucesso! 'teory.out' duplicado como 'teory.out'.
-------------------------------------
COPYING 'input_cluster.txt' FILE BACK TO THE MAIN DIRECTORY...
-------------------------------------
PROCESS COMPLETE. RETURNING TO THE MAIN DIRECTORY.

--- Simulation Complete ---