Forte MPI simulations

- January 28, 2021 at 12:41 pm
  
  Forte_user
  Subscriber
  
  Hello everybody,nwe have encountered problems with MPI simulations using Forte.nIn details, the same simulation running on different numbers of cores has always the same run time (the wall clock time at the end of the log file is more or less the same).nWe changed the number of cores using the MPI Args in the Run Simulation panel, but it seems that this parameter does not affect the simulation duration.nWhat can we check?nThanks
- January 29, 2021 at 4:40 pm
  
  RK
  Ansys Employee
  
  Hello, nCan you please check if the MPI is working fine? Can you run the command : mpiexec -n 2 cmd /c time /TitnAfter entering the username and password, the date and time will be printed, confirming that mpi is working fine. Please let me know what you find out. n
- February 1, 2021 at 4:44 pm
  
  Forte_user
  Subscriber
  
  Dear Rahkumar,nthank you for your reply.nMPI seems to work properly. Running the command (on Linux system): mpirun -n 2 time datenThis is the outputnMon Feb 1 17:44:09 CET 2021n0.00user 0.00system 0:00.00elapsed 100%CPU (0avgtext+0avgdata 696maxresident)kn0inputs+0outputs (0major+223minor)pagefaults 0swapsnMon Feb 1 17:44:09 CET 2021n0.00user 0.00system 0:00.00elapsed 100%CPU (0avgtext+0avgdata 696maxresident)kn0inputs+0outputs (0major+223minor)pagefaults 0swapsnn

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