| 3:44:37 PM PST - Thu, Dec 22nd 2011 |
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Hi Mike,
Looks like our test criteria are a little too stringent. Looking at the final results of the output files and comparing them to those in the test suite, everything seems fine. With the exception of:
pyga: This require Python to be compiled into NWChem
tce_cr_eom_t_ozone: You may want to run this test by explicitly running this on 4 processors.
Bert
Quote:Mwykes Dec 8th 12:00 pmHi there,
I just installed the nwchem-6.0-binary-redhat-5-5-gcc-4-1-2 binaries on two different machines with different operating systems. On both machines, the same 10 tests failed while all others passed. The QA tests which failed were:
pyqa
oh2 (this should fail, so not really a failure).
dft_cr2
tce_cr_eom_t_ozone
c60_ecp
xe_zora_sf
i2_zora_so
o2_zora_so
lys_qmmm
ethane_qmmm
qmmm_opt0
I am completely new to NWCHEM and would greatly appreciate some advice!
- Why did these tests fail?
- How can I remedy the problem so that all tests (bar the one which should fail) pass ?
The first machine is running SUSE Linux Release 11 (Kernel 2.6.32.29-0.3-default) with Intel Xeon(R) processors. The second machine is running CentOS release 4.8 (Kernel 2.6.9-89.0.16.ELsmp) on an x86_64 platform.
Please find the doqmtests.log file and the failed tests output files here:
http://dl.dropbox.com/u/30958682/failedJobsOutput.tgz
Many thanks in advance for your help,
Mike |