Problem with MPI | Dassault Systèmes®

LR 2020-01-01

I am using Materials Studio 2017 R2 on Windows 10 machine with Intel Xeon. I am running a perl script on server (local) for multi temperature equilibration and obtain following error:

[mpiexec@DESKTOP-9AJSVQ0] ..\hydra\pm\pmiserv\pmiserv_cb.c (781): connection to proxy 0 at host DESKTOP-9AJSVQ0 failed
[mpiexec@DESKTOP-9AJSVQ0] ..\hydra\tools\demux\demux_select.c (100): callback returned error status
[mpiexec@DESKTOP-9AJSVQ0] ..\hydra\pm\pmiserv\pmiserv_pmci.c (500): error waiting for event
[mpiexec@DESKTOP-9AJSVQ0] ..\hydra\ui\mpich\mpiexec.c (1125): process manager error waiting for completion

Please advise.

Below the script:

#Anneal protocol 1
#!perl

use strict;
use Getopt::Long;
use MaterialsScript qw(:all);
my \$no = 80;
my \$FF = "COMPASS";
my \$T_init = 298;
my \$T_final = 600;
my \$ps_fs = 1000; #no of fs in ps
my \$doc = \$Documents{'PVA30_5_COM_Ew.xtd'};

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
TimeStep => 0.1,
Ensemble3D => "NVT",
Temperature => 298,
NumberOfSteps => 100000,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$outTrajectory, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NPT",
Temperature => 298,
Pressure => 0.000101,
NumberOfSteps => 250*\$ps_fs,
TrajectoryFrequency => 1000,
StressXX => -0.000101,
StressYY => -0.000101,
StressZZ => -0.000101));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 400,
NumberOfSteps => 200*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 550,
NumberOfSteps => 200*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 298,
NumberOfSteps => 150*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 750,
NumberOfSteps => 200*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 1000,
NumberOfSteps => 350*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 850,
NumberOfSteps => 200*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 600,
NumberOfSteps => 150*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 450,
NumberOfSteps => 200*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;

my \$results = Modules->Forcite->Dynamics->Run(\$doc, Settings(
CurrentForcefield => \$FF,
TrajectoryRestart => "Yes",
AppendTrajectory => "Yes",
Ensemble3D => "NVT",
Temperature => 298,
NumberOfSteps => 250*\$ps_fs,
TrajectoryFrequency => 1000));
my \$outTrajectory = \$results->Trajectory;