[AMBER] Error Message while using GPU

From: Sivanandam Magudeeswaran <sivanandamphy.gmail.com>
Date: Sun, 28 Jun 2020 11:23:34 +0530

Dear Amber User,
                                 Recently we have installed Amber 20 in
Fujitsu HPC machine. While running amber jobs using pmemd.cuda_DPFP.MPI
routine with 4 nodes (each node has 24 processors), it gives the following
error. Please give your valuable suggestions to rectify that error.

































*--------------------------------------------------------------------------By
default, for Open MPI 4.0 and later, infiniband ports on a deviceare not
used by default. The intent is to use UCX for these devices.You can
override this policy by setting the btl_openib_allow_ib MCA parameterto
true. Local host: comp-gpu0 Local adapter: mlx5_0
Local port:
 1----------------------------------------------------------------------------------------------------------------------------------------------------WARNING:
There was an error initializing an OpenFabrics device. Local host:
comp-gpu0 Local device:
mlx5_0--------------------------------------------------------------------------vlimit
exceeded for step 52; vmax = 5669.1427vlimit exceeded for step 52;
vmax = 89983.7545vlimit exceeded for step 52; vmax = 394.1534vlimit
exceeded for step 52; vmax =
736.8532--------------------------------------------------------------------------MPI_ABORT
was invoked on rank 89 in communicator MPI_COMM_WORLDwith errorcode 1.NOTE:
invoking MPI_ABORT causes Open MPI to kill all MPI processes.You may or may
not see output from other processes, depending onexactly when Open MPI
kills
them.--------------------------------------------------------------------------[comp-gpu0.local:226093]
95 more processes have sent help message help-mpi-btl-openib.txt / ib port
not selected[comp-gpu0.local:226093] Set MCA parameter
"orte_base_help_aggregate" to 0 to see all help / error
messages[comp-gpu0.local:226093] 95 more processes have sent help message
help-mpi-btl-openib.txt / error in device init[comp-gpu0.local:226093] 1
more process has sent help message help-mpi-api.txt / mpi-abort*
--------------------------------------------------------
*Dr. M. SIVANANDAM*
*Guest Lecturer *

*Department of Physics*
*School of Physical Sciences*
*Periyar University*
*Salem-636 011*
*Mobile- 9965582730.*
--------------------------------------------------------
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Received on Sat Jun 27 2020 - 23:00:03 PDT
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