Wait, my bad, CPU test. Doubly confused though now...
On Wed, Nov 4, 2020 at 12:19 PM Scott Le Grand <varelse2005.gmail.com>
wrote:
> 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
>>>>
>>>>
>>>> _______________________________________________
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>>>>
>>>
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Received on Wed Nov 04 2020 - 12:30:03 PST
