c++ - call function in openmp parallelized loop -


i new openmp , have loop want parallelize openmp. inside parallel loop subroutine called. here code:

#pragma omp parallel shared(dir,utilitiespath,frequency,solvent,method,dispersion)  private(beginning,file_cp2k,file_geo,file_energy) for(i=1;i<=n_conformers;i=i+1) {     time(&beginning);     file_cp2k="conformer"+ qstring::number(i) +".inp";     file_geo= "conformer" +  qstring::number(i) + "_geomm.sdf";     file_energy=dir+ "conformer" + qstring::number(i)  + "_enerse";     cout<<"loop "<<i<<" time "<<beginning<< endl;     int n_atom=makecp2koptinput(file_geo, file_cp2k, dir,utilitiespath, frequency, solvent, method,dispersion); }

i following error:

* error in `./chemalivemolopt': double free or corruption (fasttop): 0x00000000018d7c00 * aborted (core dumped)

if remove call subroutine there no problem.

how should proceed parallelize loop properly?

thanks

all code openmp-enabled loop executes must thread safe. subroutine not thread safe. thread safety means synchronize access global/shared objects.

this not easy topic, recommend study thread safety , mutex-based synchronization in order solve problem.


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