Dear Users,
I could install Amber18 with AmberTool 19 without any problem. I did the
serial installation in my local machine and then transferred the files to
HPC for parallel installation. Installation completed smoothly.
The test result of serial installation is as follows.
2444 file comparisons passed
0 file comparisons failed (0 ignored)
0 tests experienced errors
The test result of parallel installation is as follows.
898 file comparisons passed
192 file comparisons failed (0 ignored)
42 tests experienced errors
Is this number of errors during test acceptable to carryout simulation?
Thanks in advance.
Sunita
On Thu, Sep 26, 2019 at 7:27 PM David Case <david.case.rutgers.edu> wrote:
> On Thu, Sep 26, 2019, Sunita Patel wrote:
> >Dear David,
>
> Please send amber-related questions to the mail reflector,
> amber.ambermd.org,
> and not to me personally. That way, many people can see your question and
> try
> to help, and the answers can help others with similar questions. See
> http://lists.ambermd.org/mailman/listinfo/amber for information on how to
> subscribe.
>
> >I already sent AH_ff14SB.prmtop, AH_ff14SB_CMAP.prmtop files and
> >AH_ff14SB.inpcrd file in the mailing list. I got an amber-bounces
> message.
> >Please approve and check these.
>
> This has nothing to do with me. Try sending just the CMAP prmtop file,
> compressing the file, or making a smaller test case.
>
> >> I am trying to install Amber 18 again with AmberTool19. Since internet
> is
> >not allowed in many of the HPC,
>
> Generally what people do this this: install Amber on a machine where
> you have internet, and build your systems there. On the HPC system,
> just build pmemd (or whatever other programs you might run there, that
> would take advantage of the "high-performance" part.
>
> >Resolving repo.continuum.io... failed: Name or service not known.
>
> This happens occasionally, even with internet capability. Just retry.
> If you can't access the interet, see above.
>
> ...good luck...dac
>
>
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Received on Mon Sep 30 2019 - 05:00:02 PDT
