Lee Soin wrote:
I try to compile GROMACS with a combination of icc and ifort. Error
occurs. These are the last lines of the compilation message:
Making install in gmx_blas
make[3]: Entering directory
`/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
make[4]: Entering directory
`/disk2/
I try to compile GROMACS with a combination of icc and ifort. Error occurs.
These are the last lines of the compilation message:
Making install in gmx_blas
make[3]: Entering directory
`/disk2/junwang/soft/src/gromacs-4.0/src/gmxlib/gmx_blas'
make[4]: Entering directory
`/disk2/junwang/soft/src/grom
Carsten Kutzner wrote:
Hi,
Mark Abraham wrote:
Lee Soin wrote:
By invoking "uname -a":
Linux sgi4700 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC
2007 ia64 ia64 ia64 GNU/Linux
I don't know any other command to retrieve system information.
Hmm, that looks like an SGI Altix 4700. IA6
Am Sonntag, 26. Oktober 2008 schrieb Lee Soin:
> Everything works fine by setting NOASSEMBLYLOOPS. Thanks!
>
> 2008/10/26 Mark Abraham <[EMAIL PROTECTED]>
>
> > Lee Soin wrote:
> >> Single CPU run. These are the last lines of the log file:
> >
> > Configuring nonbonded kernels...
> >
> >> Testing
Hi,
Mark Abraham wrote:
> Lee Soin wrote:
>> By invoking "uname -a":
>> Linux sgi4700 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC
>> 2007 ia64 ia64 ia64 GNU/Linux
>>
>> I don't know any other command to retrieve system information.
>
> Hmm, that looks like an SGI Altix 4700. IA64 kern
Lee Soin wrote:
By invoking "uname -a":
Linux sgi4700 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC 2007
ia64 ia64 ia64 GNU/Linux
I don't know any other command to retrieve system information.
Hmm, that looks like an SGI Altix 4700. IA64 kernels work on those
machines. There have be
By invoking "uname -a":
Linux sgi4700 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC 2007
ia64 ia64 ia64 GNU/Linux
I don't know any other command to retrieve system information.
2008/10/27 Mark Abraham <[EMAIL PROTECTED]>
> Lee Soin wrote:
>
>> Everything works fine by setting NOASSEMBLYL
Lee Soin wrote:
Everything works fine by setting NOASSEMBLYLOOPS. Thanks!
OK. These loops mean GROMACS will run much slower than if one of the
optimized sets is used. Please post some fine details of the processor
and hardware so there's a chance of working out how to avoid this
problem for
Everything works fine by setting NOASSEMBLYLOOPS. Thanks!
2008/10/26 Mark Abraham <[EMAIL PROTECTED]>
> Lee Soin wrote:
>
>> Single CPU run. These are the last lines of the log file:
>>
>
> Configuring nonbonded kernels...
>> Testing ia64 CPU family...Unknown Itanium
>> You might want to test th
Lee Soin wrote:
Single CPU run. These are the last lines of the log file:
Configuring nonbonded kernels...
Testing ia64 CPU family...Unknown Itanium
You might want to test the speed without assembly kernels
by setting the NOASSEMBLYLOOPS environment variable.
Try that... My guess is that the
Single CPU run. These are the last lines of the log file:
PLEASE READ AND CITE THE FOLLOWING REFERENCE
U. Essman, L. Perela, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) pp. 8577-8592
--- Thank You
Lee Soin wrote:
Hello!
I'm using gromacs 4.0 on an sgi server. Everything compiled OK. Every
program in gromacs runs OK, except mdrun. Mdrun stops every time at this
point:
Loaded with Money
starting mdrun 'IMMUNOGLOBULIN G BINDING PROTEIN G in water'
10 steps,200.0 ps.
Then nothing
Hello!
I'm using gromacs 4.0 on an sgi server. Everything compiled OK. Every
program in gromacs runs OK, except mdrun. Mdrun stops every time at this
point:
Loaded with Money
starting mdrun 'IMMUNOGLOBULIN G BINDING PROTEIN G in water'
10 steps,200.0 ps.
Then nothing happens.The CPU usage
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