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Gets Around

2:07:23 AM PDT - Wed, Aug 2nd 2017
Quote:Edoapra Aug 1st 9:06 am Quote:P99 Jul 28th 9:26 pm Quote:Edoapra Jul 28th 9:21 am Several patches are required for gcc/gfortran 6 to make NWChem 6.6 to work. http://nwchemgit.github.io/index.php/Download#Patches_for_the_27746_revision_of_NWChem_6.6 http://nwchemgit.github.io/download.php?f=Gcc6_optfix.patch.gz http://nwchemgit.github.io/download.php?f=Txs_gcc6.patch.gz Apply all patches disabled COSMO. Could you provide more details on this? What do you exactly mean? Thanks If I apply all patches and use the current MinGW compiler, then the COSMO procedure says that it has converged in one iteration. That is, it does not really do anything.