[gmx-users] 5.0.4 Compilation - SelectionUnitTests Failed

[Johnny Lu]

Oh, and what cpu and operation system is on that machine? Did you compile
for xeon or xeon phi?

On Tue, Dec 16, 2014 at 10:36 AM, Johnny Lu <johnny.lu128 at gmail.com> wrote:
>
> Hmm. Did you try gcc?
> From the mail list, I heard that if the gnu c/c++ compiler is new enough,
> it builds faster gromacs than intel c/c++ compiler and mkl.
> I'm not sure about 5.0.4 though, and I am using 4.6.7 right now.
>
> On Tue, Dec 16, 2014 at 10:09 AM, Mike Hanby <mhanby at uab.edu> wrote:
>
>> Howdy,
>>
>> I'm attempting to build Gromacs 5.0.4 using Intel compilers 13.1.1 for
>> one of the users of our HPC fabric and it errors when running test 13
>> during the "make check"
>>
>> [----------] Global test environment tear-down
>> [==========] 139 tests from 8 test cases ran. (462 ms total)
>> [  PASSED  ] 138 tests.
>> [  FAILED  ] 1 test, listed below:
>> [  FAILED  ] SelectionCollectionDataTest.HandlesCharge
>>
>>  1 FAILED TEST
>> ....
>>
>> Total Test time (real) = 148.29 sec
>>
>> The following tests FAILED:
>>          13 - SelectionUnitTests (Failed)
>> Errors while running CTest
>> make[3]: *** [CMakeFiles/run-ctest] Error 8
>> make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
>> make[1]: *** [CMakeFiles/check.dir/rule] Error 2
>> make: *** [check] Error 2
>>
>> I've attached the cmake, make and make check logs.
>>
>> Any suggestions on what I can do to debug / fix this issue, or is it
>> benign and I can safely move on to installing?
>>
>> Thanks, Mike
>> --
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