#pragma omp parallel for 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);
}