Thank you, Mark and Berk!
your suggestion was helpful and I successfully compiled on the frontend.
Now I have a problem when I compile on the compute nodes.
Configure was fine with these parameters:
../configure --prefix=/bgp/userinternal/cin0644a/gromacs \
--host=ppc --build=ppc64
- Original Message -
From: Fabio Affinito f.affin...@cineca.it
Date: Tuesday, September 21, 2010 18:51
Subject: Re: [gmx-users] error on compilation on BlueGene/P
To: Discussion list for GROMACS users gmx-users@gromacs.org
Thank you, Mark and Berk!
your suggestion was helpful and I
: Re: [gmx-users] error on compilation on BlueGene/P
To: Discussion list for GROMACS users gmx-users@gromacs.org
Thank you, Mark and Berk!
your suggestion was helpful and I successfully compiled on the
frontend.Now I have a problem when I compile on the compute nodes.
Configure was fine
... and if I add the --enable-bluegene flag :
../../../../../src/gmxlib/nonbonded/nb_kernel_bluegene/nb_kernel_gen_bluegene.h,
line 163.21: 1506-1231 (S) The built-in function __fpsub is not valid
for the target architecture.
and more similar errors.
F.
On 09/20/2010 05:35 PM, Fabio Affinito
Hi,
I think you shouldn't enable fortran.
Berk
From: f.affin...@cineca.it
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] error on compilation on BlueGene/P
Date: Mon, 20 Sep 2010 17:50:48 +0200
... and if I add the --enable-bluegene flag :
../../../../../src/gmxlib/nonbonded
Hi,
IIRC GROMACS has done something radical to FORTRAN inner loops (like removing
them) since those instructions were written. Removing --enable-fortran will
make your symptoms go away. The C inner loops will be fine, should you ever be
running mdrun on the front end nodes.
... and if I add
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