-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2016-96b3062018 2016-08-08 17:18:39.596475 --------------------------------------------------------------------------------
Name : nwchem Product : Fedora 24 Version : 6.6.27746 Release : 27.fc24 URL : http://www.nwchem-sw.org/ Summary : Delivering High-Performance Computational Chemistry to Science Description :
NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)
There is currently no serial version built.
-------------------------------------------------------------------------------- Update Information:
apply upstream patches for gcc version 6 (see bug# 1356735) ---- remove compiler native arch optimizations (see bug# 1347788) -------------------------------------------------------------------------------- References:
[ 1 ] Bug #1356735 - NWChem can not read a basis set and crashes https://bugzilla.redhat.com/show_bug.cgi?id=1356735 [ 2 ] Bug #1347788 - [abrt] nwchem-openmpi: dassertp_fail(): nwchem_openmpi killed by SIGSEGV https://bugzilla.redhat.com/show_bug.cgi?id=1347788 --------------------------------------------------------------------------------
This update can be installed with the "yum" update program. Use su -c 'yum update nwchem' at the command line. For more information, refer to "Managing Software with yum", available at https://docs.fedoraproject.org/yum/.
All packages are signed with the Fedora Project GPG key. More details on the GPG keys used by the Fedora Project can be found at https://fedoraproject.org/keys --------------------------------------------------------------------------------