[Hpc-forum] QCHEM-SLURM-DEBRECEN

[Ferenc Bartha]

Dear Colleagues,



I have updated some scripts and templates in Debrecen which are adapted for 
SLURM usage.



You can use subg09, submopac and suborca. These files are normally in your 
path (this is the default, unless you had a local customized version e.g. in 
your bin), so that no module files and whatsoever is needed. All the submit 
scripts provide help with the -v option.



Gromacs 5.0 project has not been finished yet. However, the GNU-OPENMPI 
version is ready for you at /opt/nce/packages/global/barthaf/



See the SUPPORT directories for demo.



Feri
------------:
Dr. Ferenc BARTHA, tel: 62/54-6821, E-mail: barthaf at sol.cc.u-szeged.hu
SKYPE: ferenc.bartha, WWW: http://www.staff.u-szeged.hu/~barthaf/
SZTE DNT - High Performance Computing Group
   6725 Szeged, Tisza Lajos krt. 113 (Szikra u. 2.)
SZTE, Department of Medical Chemistry, 6720 Szeged, Dóm tér 8.