hey thanks Sander for bringing my attention to -nt option.. ;)
--
sikandar
On Thu, Oct 14, 2010 at 6:08 AM, Sander Pronk wrote:
>
> On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote:
>
> > Recently I installed gromacs4.5.1 without mpi support on my workstation
> with 8 cores using cmake and m
On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote:
> Recently I installed gromacs4.5.1 without mpi support on my workstation with
> 8 cores using cmake and make -j 8, make install commands ( as suggested on
> installation instructions).
>
> Now when I do mdrun it automatically utilizes all t
.csh: line 8: `if (!
>>> $?LD_LIBRARY_PATH)
>>> setenv
>>> LD_LIBRAR
>>> Y_PATH ""'
>>> [r...@xxx bin]#
>>>
>>> This do
gt; unexpected token `setenv '
>>> /local/gromacs/bin/GMXRC.csh: line 8: `if (!
>>> $?LD_LIBRARY_PATH)
>>> setenv
>>> LD_LIBRAR
>>> Y_PATH ""&#
t;>
<mailto:sathisbioi...@gmail.com <mailto:sathisbioi...@gmail.com>
<mailto:sathisbioi...@gmail.com
<mailto:sathisbioi...@gmail.com>>>>
Date: Wednesday, October 13, 2010 14:31
Subject:
This doesn't work, and shouldn't.
>>
>> And the only thing you should be doing as root are "make
>> install"
>> and "make links" (if you want the latter). Otherwise you'll
>> trash
>> your system b
<mailto:mark.abra...@anu.edu.au>>> wrote:
- Original Message -
From: Sathish mailto:sathisbioi...@gmail.com>
<mailto:sathisbioi...@gmail.com
<mailto:sathisbioi...@gmail.com>>>
>>>
>>And the only thing you should be doing as root are "make install"
>>and "make links" (if you want the latter). Otherwise you'll trash
>>your system before you know what you've done.
>>
>>Mark
>>
>
to fix this problem and luck is not working.
It should, if the "source" command worked.
Mark
On Wed, Oct 13, 2010 at 12:57 PM, Mark Abraham
mailto:mark.abra...@anu.edu.au>> wrote:
- Original Message -
From: Sathish mailto:sathisbio
should, if the "source" command worked.
>
> Mark
>
>
>
>
>
> On Wed, Oct 13, 2010 at 12:57 PM, Mark Abraham wrote:
>
>>
>>
>> - Original Message -
>> From: Sathish
>> Date: Wednesday, October 13, 2010 14:31
>> Subject: [gmx
problem and luck is not working.
It should, if the "source" command worked.
Mark
On Wed, Oct 13, 2010 at 12:57 PM, Mark Abraham
mailto:mark.abra...@anu.edu.au>> wrote:
- Original Message -----
From: Sathish mailto:sathisbioi...@gmail.com>>
Date:
ioi...@gmail.com>>
Date: Wednesday, October 13, 2010 14:31
Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server
To: gmx-users@gromacs.org <mailto:gmx-users@gromacs.org>
> Dear all,
> I have compiled and installed gromacs 4.5.1 on RHEL5.5 server
Sathish
> Date: Wednesday, October 13, 2010 14:31
> Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server
> To: gmx-users@gromacs.org
>
> > Dear all,
> > I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have
> also installed openmpi-1.2.8, fftw
- Original Message -
From: Sathish
Date: Wednesday, October 13, 2010 14:31
Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server
To: gmx-users@gromacs.org
> Dear all,
> I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also
> installed open
Dear all,
I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I have also
installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After gromacs 4.5.1
installation did make tests and make links. Finally got message "GROMACS is
installed under /root/software" and "binary executable installed
/u
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