New version of MOLCAS available on IBM-SP6

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Mer 16 Nov 2011 13:38:14 CET


HPC User Support (hpc.cineca.it)

======== NEW VERSION OF MOLCAS AVAILABLE ON IBM-SP6 ==========================

Dear users,

MOLCAS 7.6 (the last released version) is now available on IBM-SP6. Molcas is  
a MPI-parallel Quantum Chemistry software distributed by the Lund University  
in Sweden and is freely availble to all Cineca SP6 users.

 > module load molcas > module help molcas
Please note that *molcas/7.6/par* is the default module. The old 7.4 version  
is still available. If you need it you should load the specific module by  
name:

 > module load molcas/7.4
Regards,

Elda Rossi

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