On top of that, it doesn't follow the informal standard of the other tests,
i.e.
#!/bin/csh -f
#TEST-PROGRAM pmemd
#TEST-DESCRIP TO_BE_DEtermined
#TEST-PURPOSE regression, basic
#TEST-STATE undocumented
if( ! $?TESTsander ) set TESTsander = "${AMBERHOME}/bin/pmemd"
if( ! $?DO_PARALLEL ) then
setenv DO_PARALLEL " "
endif
vs what I would expect:
#!/bin/csh -f
#TEST-PROGRAM pmemd.cuda
#TEST-DESCRIP TO_BE_DEtermined
#TEST-PURPOSE regression, basic
#TEST-STATE undocumented
#$1 = PREC_MODEL
#$2 = NETCDF
if( ! $?DO_PARALLEL ) then
setenv DO_PARALLEL " "
if( $?TESTsander ) then
set sander = $TESTsander
else
set sander = ${AMBERHOME}/bin/pmemd.cuda_$1
endif
else
if( $?TESTsander ) then
set sander = $TESTsander
else
set sander = ${AMBERHOME}/bin/pmemd.cuda_$1.MPI
endif
endif
Why the arbitrary change here?
On Wed, Nov 4, 2020 at 12:15 PM Scott Le Grand <varelse2005.gmail.com>
wrote:
> Also, when I run locally, the reference is crazy different. For example:
>
> 58c58
> < t = 0., dt = 0.0010, vlimit = 20.0000
> ---
> > t = 0., dt = 0.0010, vlimit = -1.0000
> 78c78
> < NFFT1 = 64 NFFT2 = 72 NFFT3 = 75
> ---
> > NFFT1 = 64 NFFT2 = 64 NFFT3 = 80
>
> I did not change any of the code to trigger such a difference. Can we
> assume my merge request passed and accept it?
>
>
> On Wed, Nov 4, 2020 at 9:04 AM Scott Le Grand <varelse2005.gmail.com>
> wrote:
>
>> So, that's feasible... But why are merge requests that do stuff like this
>> getting past CI only to trip up future changes?
>>
>> On Wed, Nov 4, 2020 at 4:53 AM David A Case <david.case.rutgers.edu>
>> wrote:
>>
>>> On Tue, Nov 03, 2020, Scott Le Grand wrote:
>>>
>>> >possible FAILURE: check out.dif
>>>
>>> >/home/jenkins/jenkins-cpu/workspace/AmberGitlab/AmberMergeGatePipeline/test/pmemdTI/softcore/complex_ssc2
>>> >103c103
>>> >< Skip neutralizing charges...
>>> >---
>>> >> Assuming uniform neutralizing plasma
>>> >105c105
>>> >< Skip neutralizing charges...
>>> >---
>>> >> Assuming uniform neutralizing plasma
>>>
>>> The order of printout has changed. (Am I missing something deeper
>>> here? Is it possible that the CPU and GPU codes are different in this
>>> respect?)
>>>
>>> ....dac
>>>
>>>
>>> _______________________________________________
>>> AMBER-Developers mailing list
>>> AMBER-Developers.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>>
>>
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Received on Wed Nov 04 2020 - 12:30:03 PST
