General information

Name	compchem
Status	Production
Validation date	2011-05-30
Last change	2016-06-16
Discipline	Natural Sciences Chemical sciences Computational chemistry global
Enrollment Url	https://voms.cnaf.infn.it:8443/voms/compchem/
Homepage Url	https://www3.compchem.unipg.it
Support Procedure Url

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Description

The CompChem VO is related to the Virtual Community of the users of the Computational Chemistry applications. The MoU is available at the URL: http://www3.compchem.unipg.it/docs/EGI-InSPIRE-CA-1.0-signed.pdf

Acceptable Use Policy

file compchem-AcceptableUsePolicy-20060929-102033.txt

Acknowledgments Statement

Grant Id	n/a
Scientific publications URL
Suggested	This work benefited from services and resources provided by the Compchem Virtual Organisation, supported by the national resource providers of the EGI Federation.

Resources

Max used physical non-swap i386 memory size	1000
Max used physical non-swap x86_64 memory size	1000
Max size of scratch space used by jobs	2000
Max time of job execution	4320
Job wall clock time limit	7200
number cores
min number cores :
pref number cores :
max number cores :
number of ram
min number ram :
pref number ram :
max number ram :
scratch space values
min scratch space values :
pref scratch space values :
max scratch space values :

Cloud Resources

CPU Core
VM Ram
Storage Size

Other requirements

MPI. WNs might need 50 GB of scratch, depending on job type. No specific language support (precompiled binaries sent with the job). No commercial software yet. One job type communicates with UI, so needs inbound network access (this job type also needs MPI).

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