Description of problem: ga is built against an old openmpi. $ rpm -q ga-openmpi ga-openmpi-5.3b-14.el7.x86_64 $ rpm -q --requires ga-openmpi | grep "libmpi.so" libmpi.so.1()(64bit) $ yum provides "libmpi.so.1()(64bit)" ... compat-openmpi16-1.6.4-10.el7.x86_64 : Open MPI 1.6 compat library ... Expected results: Version-Release number of selected component (if applicable): How reproducible: Steps to Reproduce: 1. 2. 3. Actual results: Expected results: Additional info: See bug #1299143 and bug #1357018 $ for p in openmpi scalapack-openmpi ga-openmpi; do rpm -q $p --queryformat '%{buildtime:date} %{name}-%{version}-%{release}\n'; done Fri 20 Nov 2015 06:47:24 PM UTC openmpi-1.10.0-10.el7 Tue 19 Jan 2016 05:44:55 PM UTC scalapack-openmpi-2.0.2-12.el7 Thu 20 Nov 2014 03:22:36 AM UTC ga-openmpi-5.3b-14.el7 $ for p in mpich scalapack-mpich ga-mpich; do rpm -q $p --queryformat '%{buildtime:date} %{name}-%{version}-%{release}\n'; done Fri 06 Mar 2015 04:23:48 AM UTC mpich-3.0.4-8.el7 Tue 19 Jan 2016 05:44:55 PM UTC scalapack-mpich-2.0.2-12.el7 Thu 20 Nov 2014 03:22:36 AM UTC ga-mpich-5.3b-14.el7 I see there is a new release of ga (5.4), but I'm not sure this is supported by the latest stable nwchem (from 2015). Please do not touch ga (even rebuild) on el6 because this may breaks things ...
Please hold on, maybe we need to update anyway to ga-5-4. We see some nwchem hangs/crashes on Fedora 24 (bug #1356735 and bug #1347788) and I'm currently checking if linking nwchem against ga-5-4 helps. The latest stable Nwchem-6.6.revision27746-src.2015-10-20.tar.gz actually seems to be using some version of ga-5-4 ...
I don't see a relation between the crashes/hangs of nwchem and ga-5-4 vs ga-5-3b. Please go ahead and rebuild ga - preferably also update to ga-5-4 if you think it is appropriate (on epel7, el6, Fedora). Note that Fedora changed to Lmod instead of environment modules and %check results now in: Lmod Warning: The environment MODULEPATH has been changed in unexpected ways. Lmod is unable to use given MODULEPATH. It is using: "/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core:/etc/modulefiles". Please use "module use ..." to change MODULEPATH instead. Also: ga-5-4 needs a different ga-5-4-format-security.patch in order to build (attached)
Created attachment 1180298 [details] ga format-security patch
See bug #1357022 c 24 - it's OK to move to ga-5-4.
Marcin/David ga-5-4 is essential for NWChem 6.6 to work https://bugzilla.redhat.com/show_bug.cgi?id=1356735#c24 https://bugzilla.redhat.com/show_bug.cgi?id=1356735#c29
scalapack has been rebuilt on all Fedora and EPEL targets - can you update ga?
Marcin I have generated RPMS for 5.6.5 with updated Scalapack. https://koji.fedoraproject.org/koji/taskinfo?taskID=27604228 How do I get my changes in fedoraproject.org repository? Changelog: * Wed Jun 13 2018 Edoardo Apra <edoardo.apra> - 5.6.5-1 - New release 5.6.5 - Replaced Atlas with OpenBLAS - Made compatible with ScaLapack RPM updates - Added options -with-blas4 to work with NWChem
ga-5.6.5-1.el7 has been submitted as an update to Fedora EPEL 7. https://bodhi.fedoraproject.org/updates/FEDORA-EPEL-2018-4c4a047281
ga-5.6.5-1.el7 has been pushed to the Fedora EPEL 7 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testing for instructions on how to install test updates. You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-EPEL-2018-4c4a047281
ga-5.6.5-1.el7 has been pushed to the Fedora EPEL 7 stable repository. If problems still persist, please make note of it in this bug report.
The needinfo request[s] on this closed bug have been removed as they have been unresolved for 1000 days