Dear All,

I am using Gromacs with following script: 

#!/usr/bin/env zsh

#SBATCH -p c18m

#SBATCH --account=jara0187

#SBATCH -J Subrata1 

#SBATCH -o GROMACSJOB.o%J 

#SBATCH -e GROMACSJOB.e%J

#SBATCH --mail-user=s.pramanik@biotec.rwth-aachen.de

#SBATCH --mail-type=BEGIN

#SBATCH --mail-type=end

#SBATCH -n 24

#SBATCH --mem-per-cpu=5000

#SBATCH -t 24:00:00

  

###### end of Slurm  directives ######

###### start of shell commands ######

### load the necessary module files

module load CHEMISTRY

module load gromacs/5.1.2

#path for job file

cd $HOME/run1-test

# Start the MPI-parallel mdrun directly ...

$SLURM_NTASKS gmx_mpi mdrun -deffnm md_0_1 -cpi md_0_1.cpt -append

I am getting this error: 

sbatch: error: s_p_parse_file: unable to status file /etc/slurm/slurm.conf: No such file or directory, retrying in 1sec up to 60sec

sbatch: error: ClusterName needs to be specified

sbatch: fatal: Unable to process configuration file

If anybody has any suggestions, please let me know.

Thanks in advance.

Best regards,

Subrata

 

On Thu, Apr 25, 2019 at 9:57 AM Julien Guénolé <guenole@imm.rwth-aachen.de> wrote:

Thanks to answer to the list: it can always be helpful to others...

If you get an error with these,

#SBATCH -p c18m
#SBATCH --account=jara0187

I don't know what to suggest more.

Best wishes,
Julien

On 25/04/2019 09:20, Subrata Pramanik wrote:

Dear Julien,

Thank you for your suggestion.

In the LSF, I had this way: 

##BSUB -P rwth0031

#BSUB -P jara0187

In the SLURM, I changed in these ways: 

#SBATCH -p c18m

#SBATCH --account=jara0187

OR

#SBATCH -p rwth0031

#SBATCH --account=jara0187

In both cases, I am getting the same error: 

sbatch: error: s_p_parse_file: unable to status file /etc/slurm/slurm.conf: No such file or directory, retrying in 1sec up to 60sec

sbatch: error: ClusterName needs to be specified

sbatch: fatal: Unable to process configuration file

I am herewith sending the script file. If possible, please have a look and suggest me.

Thanks in advance.

Best regards,

Subrata. 

On Wed, Apr 24, 2019 at 5:36 PM Julien Guénolé <guenole@imm.rwth-aachen.de> wrote:

As indicated by the error message, did you try to specify the ClusterName? For example:

#SBATCH -p c18m

if there is still an error, a copy of the batch file could be useful!

Best wishes,
Julien

On 24/04/2019 17:27, Subrata Pramanik wrote:

Hi all,

I am trying to submit a job to Gromacs using cluster.

With LSF, it was working well. 

I am getting the follwong error: 

sbatch: error: s_p_parse_file: unable to status file /etc/slurm/slurm.conf: No such file or directory, retrying in 1sec up to 60sec

sbatch: error: ClusterName needs to be specified

sbatch: fatal: Unable to process configuration file

Please suggest me to solve this problem.

Thanks in advance.

Best regards,

Subrata.

On Tue, Mar 12, 2019 at 8:20 PM Philipp Rüßmann <p.ruessmann@fz-juelich.de> wrote:

Dear Marek,

the command is #SBATCH --account=abcd1234.

Cheers,
Philipp


Am 12.03.19 um 20:01 schrieb simon@isf.rwth-aachen.de:
> Hi all,
>
> Is there an equivalent of the #BSUB -p command in SLURM as well?
>
> Best Wishes,
> Marek
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Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1)
Forschungszentrum Jülich GmbH, D-52425 Jülich
Tel.: +49 2461 61-5523
E-Mail: p.ruessmann@fz-juelich.de



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Yours Sincerely,

Subrata Pramanik

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Dr. Julien GUÉNOLÉ
Research Group Head
----------------------
Institute of Physical Metallurgy and Metal Physics
RWTH Aachen University
Kopernikusstrasse 14
52074 Aachen, GERMANY
---------------------- Room 202
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Yours Sincerely,

Subrata Pramanik

-- 
**************************************************
Dr. Julien GUÉNOLÉ
Research Group Head
----------------------
Institute of Physical Metallurgy and Metal Physics
RWTH Aachen University
Kopernikusstrasse 14
52074 Aachen, GERMANY
---------------------- Room 202
Phone [office] +49 241 80 26866
Email          guenole@imm.rwth-aachen.de
Web            http://www.julien-guenole.fr
Twitter        @nanouayeur
**************************************************

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Yours Sincerely,

Subrata Pramanik

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