Loading examples/USER/misc/grem/lj-6rep/double-re-short.py +1 −2 Original line number Original line Diff line number Diff line Loading @@ -51,7 +51,7 @@ for exchange in arange(starting_ex,max_exchange): os.chdir(path+"/%s" % lambdas[l]) os.chdir(path+"/%s" % lambdas[l]) #os.system("cp restart_file restart_file%d" % exchange) #os.system("cp restart_file restart_file%d" % exchange) if (nproc > 1): if (nproc > 1): os.system("mpirun -np %d " + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (nproc, lambdas[l], eta, H)) os.system("mpirun -np %d " % (nproc) + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) if (nproc == 1): if (nproc == 1): os.system(lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) os.system(lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) os.system("grep -v '[a-zA-Z]' output | awk '{if(NF==6 && NR>19)print $0}' | awk '{print $3}' >ent") os.system("grep -v '[a-zA-Z]' output | awk '{if(NF==6 && NR>19)print $0}' | awk '{print $3}' >ent") Loading @@ -60,7 +60,6 @@ for exchange in arange(starting_ex,max_exchange): aver_enthalpy[l] = mean(ee[-1]) aver_enthalpy[l] = mean(ee[-1]) # os.system("mv dump.dcd dump%d.dcd" % exchange) # os.system("mv dump.dcd dump%d.dcd" % exchange) os.system("mv log.lammps log%d.lammps" % exchange) os.system("mv log.lammps log%d.lammps" % exchange) # os.system("rm output") os.system("mv final_restart_file final_restart_file%d" % exchange) os.system("mv final_restart_file final_restart_file%d" % exchange) os.system("mv ent ent%d" % exchange) os.system("mv ent ent%d" % exchange) os.system("bzip2 log%d.lammps ent%d" % (exchange,exchange)) os.system("bzip2 log%d.lammps ent%d" % (exchange,exchange)) Loading Loading
examples/USER/misc/grem/lj-6rep/double-re-short.py +1 −2 Original line number Original line Diff line number Diff line Loading @@ -51,7 +51,7 @@ for exchange in arange(starting_ex,max_exchange): os.chdir(path+"/%s" % lambdas[l]) os.chdir(path+"/%s" % lambdas[l]) #os.system("cp restart_file restart_file%d" % exchange) #os.system("cp restart_file restart_file%d" % exchange) if (nproc > 1): if (nproc > 1): os.system("mpirun -np %d " + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (nproc, lambdas[l], eta, H)) os.system("mpirun -np %d " % (nproc) + lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) if (nproc == 1): if (nproc == 1): os.system(lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) os.system(lmp + " -in ../" + inp + " -var lambda %g -var eta %g -var enthalpy %g > output" % (lambdas[l], eta, H)) os.system("grep -v '[a-zA-Z]' output | awk '{if(NF==6 && NR>19)print $0}' | awk '{print $3}' >ent") os.system("grep -v '[a-zA-Z]' output | awk '{if(NF==6 && NR>19)print $0}' | awk '{print $3}' >ent") Loading @@ -60,7 +60,6 @@ for exchange in arange(starting_ex,max_exchange): aver_enthalpy[l] = mean(ee[-1]) aver_enthalpy[l] = mean(ee[-1]) # os.system("mv dump.dcd dump%d.dcd" % exchange) # os.system("mv dump.dcd dump%d.dcd" % exchange) os.system("mv log.lammps log%d.lammps" % exchange) os.system("mv log.lammps log%d.lammps" % exchange) # os.system("rm output") os.system("mv final_restart_file final_restart_file%d" % exchange) os.system("mv final_restart_file final_restart_file%d" % exchange) os.system("mv ent ent%d" % exchange) os.system("mv ent ent%d" % exchange) os.system("bzip2 log%d.lammps ent%d" % (exchange,exchange)) os.system("bzip2 log%d.lammps ent%d" % (exchange,exchange)) Loading
