Hi Prof. Case,
Thanks for replying!
Can you say more about your hardware and OS?
The hardware is IBM POWER9 and V100. Here is the info provided by lscpu:
Architecture: ppc64le
Byte Order: Little Endian
CPU(s): 128
On-line CPU(s) list: 0-127
Thread(s) per core: 4
Core(s) per socket: 16
Socket(s): 2
NUMA node(s): 6
Model: 2.1 (pvr 004e 1201)
Model name: POWER9, altivec supported
The operating system is *Red Hat Enterprise Linux (RHEL) version 7.6.
*And it is
the Summit supercomputer.
Best,
Cong
On Thu, May 21, 2020 at 2:01 PM David A Case <david.case.rutgers.edu> wrote:
> On Thu, May 21, 2020, Cong Liu wrote:
> >
> >The Amber20 compiled with gcc/7.4.0 using the following command:
> >
> >> *./configure --with-python MYPYTHON -nosse gnu*
> >
> >failed some tests.
> >
> > - Most of them are related to mdgx. I guess these are normal since
> using
> > the "-nosse" flag?
> > - Other nontrivial cpptraj test failures worry me.
>
> Can you say more about your hardware and OS? I'm guessing that no
> developer has tried to run these codes on Power9 chips; if I'm wrong,
> presumably someone on the list will chime in. (I know that there are
> people looking at putting Amber on Summit, but I've not heard either
> news about this, or reports of problems.)
>
> In a way, it is encouraging that the only problems are in mdgx, and in
> some aspects of cpptraj. Dave Cerutti and Dan Roe may have more insight
> here.
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 21 2020 - 14:30:02 PDT
