Hi,
mvapich2/1.7-intel
means mvapich2-1.7 built with the already mentioned compiler.
I have a purchased amber12 tarball.
scott
--------- versions
amber12/patch_amber.py --patch-level
Latest patch applied to AmberTools12: 28
mpif90 -show
ifort -I/usr/local/mvapich2/1.7-intel/include -I/usr/local/mvapich2/1.7-intel/include
+-L/usr/local/mvapich2/1.7-intel/lib -lmpichf90 -lmpichf90 -lmpich -lopa -lmpl -lpthread -lhwloc -libverbs
+-libumad -ldl -lrt
ifort -V
Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 12.1.4.319 Build
+20120410
nvcc -V
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2012 NVIDIA Corporation
Built on Thu_Apr__5_00:24:31_PDT_2012
Cuda compilation tools, release 4.2, V0.2.1221
--------- versions
On Tue, Nov 06, 2012 at 05:47:31AM -0800, Scott Le Grand wrote:
> The code works at my end as well (there is a bug in the energy fas I
> expected from that suspect piece of code in gpu.cpp I found this past
> weekend which you can see by running with 4 processes) but I am not seeing
> the crash that Scott is seeing here. It almost looks like DO_PARALLEL is
> somehow not defined.
>
>
>
>
> On Mon, Nov 5, 2012 at 11:12 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
>
> > Hey Scott,
> >
> > What compiler and MPI combination are you using here? I am trying to
> > reproduce this using the current git tree with mvapich2-1.4.1p1 and gnu
> > 4.4.5-6 with NVCC 4.2 and every works great in DPDP mode on either 1 or 2
> > GPUs. Do you have a simple repo that you see problems with?
> >
> > See: http://bugzilla.ambermd.org/show_bug.cgi?id=205
> >
> > All the best
> > Ross
> >
> >
> > On 11/5/12 11:36 PM, "Scott Brozell" <sbrozell.rci.rutgers.edu> wrote:
> >
> > >Hi Ross,
> > >
> > >Was a notice posted somewhere ?
> > >
> > >If not then please put one on the amber gpu page.
> > >It's a fair amount of work to investigate failing tests;
> > >let's spare our users the several hours of work i already spent.
> > >
> > >thanks,
> > >scott
> > >
> > >On Mon, Nov 05, 2012 at 10:29:08PM -0700, Ross Walker wrote:
> > >> Hi Scott,
> > >>
> > >> We know. Scott Le Grand and I are looking into it although other pesky
> > >> things keep getting in the way. Hope to have a fix soon along with CUDA
> > >> 5.0 support.
> > >>
> > >> For now just run single GPU if using NMROPT.
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Received on Wed Nov 07 2012 - 09:00:02 PST
