| 11:21:57 AM PDT - Mon, Sep 22nd 2014 |
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CentOS 5.x summary
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I have some more data regarding the issues on CentOS 5.x. Hopefully this table will help:
CentOS 5.x with OpenMPI 1.6.4, Nwchem-6.5.revision26243-src.2014-09-10
| gcc 4.4
| ifort 2013
| ifort 2013 w/ hondo fix
| ifort 2013 SP1
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Compiler version
| gcc44 (GCC) 4.4.7 20120313 (Red Hat 4.4.7-1)
| ifort (IFORT) 13.0.1 20121010
| ifort (IFORT) 13.0.1 20121010
| ifort (IFORT) 14.0.2 20140120
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Passes most tests
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Failure description
| N/A
| Wildly incorrect isotropic and anisotropy values (e.g. in prop_ch3f)
| N/A
| TCE jobs seg fault (e.g. tce_cr_eom_t_ch_rohf)
Segmentation fault
=========================================
Excited-state calculation ( b2 symmetry)
=========================================
Dim. of EOMCC iter. space 500
2:Segmentation Violation error, status=: 11
(rank:2 hostname:fermi11 pid:10806):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/signaltrap.c:SigSegvHandler():310 cond:0
1:Segmentation Violation error, status=: 11
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