X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMD_A-MTS.F;h=6154487f901ce16d29cf6b0c399930883c0396a5;hb=9b46e3da575cb549a4070ee7d0c75efc729951e6;hp=713d6e55ddd65159d9b35bfe996b4c98db0e69a8;hpb=4d788798cc98884901de55bd9b81f32ea40e986b;p=unres.git diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F index 713d6e5..6154487 100644 --- a/source/unres/src_MD-M/MD_A-MTS.F +++ b/source/unres/src_MD-M/MD_A-MTS.F @@ -1088,12 +1088,25 @@ c Applying velocity Verlet algorithm - step 1 to coordinates c c Compute friction and stochastic forces c +#ifdef MPI time00=MPI_Wtime() +#else + time00=tcpu() +#endif call friction_force +#ifdef MPI time_fric=time_fric+MPI_Wtime()-time00 time00=MPI_Wtime() +#else + time_fric=time_fric+tcpu()-time00 + time00=tcpu() +#endif call stochastic_force(stochforcvec) +#ifdef MPI time_stoch=time_stoch+MPI_Wtime()-time00 +#else + time_stoch=time_stoch+tcpu()-time00 +#endif c c Compute the acceleration due to friction forces (d_af_work) and stochastic c forces (d_as_work) @@ -1511,11 +1524,13 @@ c statname=statname(:ilen(statname)-5)//qstr(:ipos-1)//'.stat' if (restart1file) then if (me.eq.king) & inquire(file=mremd_rst_name,exist=file_exist) +#ifdef MPI write (*,*) me," Before broadcast: file_exist",file_exist call MPI_Bcast(file_exist,1,MPI_LOGICAL,king,CG_COMM, & IERR) write (*,*) me," After broadcast: file_exist",file_exist c inquire(file=mremd_rst_name,exist=file_exist) +#endif if(me.eq.king.or..not.out1file) & write(iout,*) "Initial state read by master and distributed" else