From: The Cromicus Productions (thecromicusproductions_at_gmail.com)
Date: Fri Sep 29 2017 - 14:59:34 CDT
Hi everyone,
I'm trying to run some tests on Stampede2, however I'm really confused with
using
"ibrun" (I usually just use mpirun). Does anyone have experience on this?
For example,
if I want to use 8 nodes and 68 cores per node (total 544 cores), I'm trying
ibrun -np 544 namd2 ++p 544 ++ppn 67 RUN.namd > output.log
But run into errors such as
"CmiStartThreads: Resource temporarily unavailable(11)".
I tried other combinations and in the best case scenario I managed to do a
VERY slow
run. How can I fix this to use A nodes and B cores per node, in general?
Found some information at
https://www.nvidia.com/en-us/data-center/gpu-accelerated-applications/namd/
but I don't have that much experience with parallel computing.
Thank you very much,
Sebastian
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