Your problem has nothing to do with GPUs. For some reason you have invoked InfiniBand as an interconnect without actually have an InfiniBand system installed or properly configured.
Check with your system administrator or IT personnel to find out why your run was invoking InfiniBand.
This does not reflect on David Case's comments. Mult-GPUs are an illusory 'solution' being sold by Nvidia to sell more GPUs that provide money to them but no performance increase to you.
Jim Kress
-----Original Message-----
From: 陈金峰 <201612095.mail.sdu.edu.cn>
Sent: Friday, June 22, 2018 7:59 AM
To: amber <amber.ambermd.org>
Subject: [AMBER] Multi GPU performance
Hello amber users:
I am starting to use a station with 3GPUs, I used the following command :
nohup mpirun -np 3 pmemd.cuda.MPI -O -i nvt.in -o nvt.out -r...
It did work ,but it performed even slower than ran on only one GPU, and the
output information is as follows:
[[9951,1],2]: A high-performance Open MPI point-to-point messaging module
was unable to find any relevant network interfaces:
Module: OpenFabrics (openib)
Host: hj191
Another transport will be used instead, although this may result in
lower performance.
NOTE: You can disable this warning by setting the MCA parameter
btl_base_warn_component_unused to 0.
--------------------------------------------------------------------------
[hj191:04235] 2 more processes have sent help message help-mpi-btl-base.txt
/ btl:no-nics
[hj191:04235] Set MCA parameter "orte_base_help_aggregate" to 0 to see all
help / error messages
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
So what's the problem? what should I do to get a proper performance?
Any suggestions will be appreciated!
Thank you!
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Received on Fri Jun 22 2018 - 08:00:02 PDT
