From: Michael Von Domaros (mvondoma_at_uci.edu)
Date: Thu Mar 11 2021 - 20:52:50 CST
Thanks, Josh! That's quite encouraging. Does that mean it's possible to
request Gitlab access for this reason? I was operating under the assumption
that this is just for developers.
Michael
On Thu, Mar 11, 2021 at 5:28 PM Vermaas, Josh <vermaasj_at_msu.edu> wrote:
> Hi Michael,
>
> I have NAMD3 running with CUDA 10 on my cluster. I got a copy of the
> source from gitlab.
>
> https://urldefense.com/v3/__https://gitlab.com/tcbgUIUC/namd__;!!DZ3fjg!uW5z2anQvBXI7OPMObXMeUCjFslS1-ugHNIGKaN36MZwiAg1XsI_IZXgpIHdgk2pKg$
>
> It is in the devel branch, and it tagged as 3.0a9. I have compilation
> instructions that are what I used (or at least what I think I used from
> memory) on github.
>
> https://urldefense.com/v3/__https://github.com/jvermaas/Software-Building-Instructions/blob/main/NAMD.md__;!!DZ3fjg!uW5z2anQvBXI7OPMObXMeUCjFslS1-ugHNIGKaN36MZwiAg1XsI_IZXgpIH_dYoZXQ$
>
> Compilation with NAMD3 from there is basically the same as it would be
> anywhere else. You need charm++ compiled, followed by NAMD itself. The
> hardest part for me was actually sorting out which of the many openMPI
> implementations installed on the cluster had the PMI backend so I could
> just call srun if I wanted to do replica exchange stuff.
>
> -Josh
>
> On 3/11/21 7:42 PM, Michael Von Domaros wrote:
> > Hi everyone,
> >
> > It appears that the namd 3 alpha 9 builds now require CUDA 11.0 (or
> > something even newer? not sure.) Is this absolutely necessary? I'm
> > asking because our compute cluster is stuck with CUDA 10 and CUDA 10
> > compatible device drivers, because a pretty substantial software stack
> > has been compiled against this version. The admins are somewhat
> > hesitant to update the device drivers, because they don't think that
> > running CUDA 10 apps with newer device drivers will be flawless.
> >
> > So, long story short: Could NAMD3 be compiled against CUDA 10? If so,
> > is there any way to access the source code? As far as I can tell, only
> > source codes for the 2.x series and nightly snapshots are available.
> >
> > Thanks a bunch,
> > Michael
>
> --
> Josh Vermaas
> Assistant Professor, MSU-DOE Plant Research Lab and Department of
> Biochemisty and Molecular Biology
> vermaasj_at_msu.edu
> https://urldefense.com/v3/__https://prl.natsci.msu.edu/people/faculty/josh-vermaas/__;!!DZ3fjg!uW5z2anQvBXI7OPMObXMeUCjFslS1-ugHNIGKaN36MZwiAg1XsI_IZXgpIEJUk8k9Q$
>
>
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