From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Jun 16 2022 - 15:31:44 CDT
>From the specs Anvil looks like a fairly standard InfiniBand cluster: the
"ibverbs" builds should work fine with the hardware, and the sysadmins
should assist you with starting up the job on multiple nodes, for example
by providing you with a command that can be used in combinations with the
++mpiexec and ++remote-shell options of charmrun.
Since pre-compiled NAMD builds are available, all that they need to do to
help is reading the notes.txt file in the NAMD distribution and compare
that information with their queue settings.
Giacomo
On Thu, Jun 16, 2022 at 4:14 PM Maria Bykhovskaia <mb.ucdelcaribe_at_gmail.com>
wrote:
> Did anybody ever run NAMD at Anvit at Purdue? I just got an allocation
> there, so I'm wondering if NAMD script was optimized for Anvit? Will
> appreciate any info.
> Thanks,
> Maria
>
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