Re: [Freeon-users] Testing FreeON 1.0.8 on Centos 6.3

[Noel O'Boyle]

Thanks for the rapid response. Please find attached the three files as a tar.

- Noel

On 3 January 2014 19:26, Nicolas Bock <address@hidden> wrote:
> On Fri, Jan 03, 2014 at 06:35:39PM +0000, Noel O'Boyle wrote:
>
>> Hi there,
>>
>> I've just been trying out FreeON as part of my QM Speed Test (see
>> http://baoilleach.blogspot.co.uk/2013/10/qm-up-for-testing-quantum-chemistry.html).
>>
>> Unfortunately, "make check" returns an error:
>> ============================================================================
>> Testsuite summary for FreeON 1.0.8
>> ============================================================================
>> # TOTAL: 2
>> # PASS:  0
>> # SKIP:  0
>> # XFAIL: 0
>> # FAIL:  0
>> # XPASS: 0
>> # ERROR: 2
>> ============================================================================
>> See Validate/SinglePoint/Restricted/test-suite.log
>> Please report to address@hidden
>> ============================================================================
>>
>> The contents of test-suite.log are at the end of the email. I'd
>> appreciate if you could help me resolve this. Do you need any more
>> information about my system?
>>
>
> Could you also send us
>
> Validate/SinglePoint/Restricted/regressionTest.log
>
> and the two output files
>
> Validate/SingePoint/Restricted/*.out
>
> Thanks,
>
> nick
>
>> FreeON was compiled with gcc 4.4.6 with "enable-optimizations" and a
>> specified tmp directory (and system libraries for HDF5, etc.).
>>
>> Regards,
>>    Noel
>>
>> ==================================================================
>>    FreeON 1.0.8: Validate/SinglePoint/Restricted/test-suite.log
>> ==================================================================
>>
>> # TOTAL: 2
>> # PASS:  0
>> # SKIP:  0
>> # XFAIL: 0
>> # FAIL:  0
>> # XPASS: 0
>> # ERROR: 2
>>
>> .. contents:: :depth: 2
>>
>> ERROR: C
>> ========
>>
>> [regressionTest] reference file: ./C.reference
>> [regressionTest] scratch directory:
>> /home/noel/Tools/Quantum/FreeON/freeon-1.0.8/../tmp/FreeON-scratch-C_9811-kbNkYe/
>> [regressionTest] log file:
>> /home/noel/Tools/Quantum/FreeON/freeon-1.0.8/Validate/SinglePoint/Restricted/regressionTest.log
>> [regressionTest] found 0 value errors, 9 matched entries, 0 unmatched
>> entries, i.e found tag in output but did not have reference for it, 1
>> entries in reference that were missing from the output
>> [regressionTest] FreeON successfully terminated
>>
>> ERROR: HeH+
>> ===========
>>
>> At line 86 of file ProcessControl.F90
>> Fortran runtime error: End of record
>> [regressionTest] reference file: ./HeH+.reference
>> [regressionTest] scratch directory:
>> /home/noel/Tools/Quantum/FreeON/freeon-1.0.8/../tmp/FreeON-scratch-HeH+_11050-TCTBdE/
>> [regressionTest] log file:
>> /home/noel/Tools/Quantum/FreeON/freeon-1.0.8/Validate/SinglePoint/Restricted/regressionTest.log
>> [regressionTest] found 0 value errors, 0 matched entries, 0 unmatched
>> entries, i.e found tag in output but did not have reference for it, 13
>> entries in reference that were missing from the output
>> [regressionTest] FreeON did not successfully terminate
>>

results.tar
Description: Unix tar archive