Hi Shawn,
Assuming the differences are all similar to the cellulose example you show below where they differ only on a few lines and only by a very small amount it is innocuous and you can ignore it. I've never tested on a Quadro NVS 510 GPU but I'd expect it to work fine - although it is possible some tests may fail due to being out of memory - it depends on how much is on the card.
Other than that though the minor differences can be ignored.
All the best
Ross
> On Aug 24, 2016, at 14:47, Sivy, Shawn <ssivy.tcnj.edu> wrote:
>
> Hello,
>
> I’m hoping someone could help me with compiling the Amber software on our
> systems. I have an older model Intel Xeon 5500 server with an NVIDIA
> Quadro NVS 510 (GK107) GPU card in it. I’ve successfully compiled the
> serial and parallel versions of Amber using gcc 4.8.5. I’m trying to
> compile the serial CUDA version now. The “make install” builds without
> errors, but the “make test” gets “possible failures” on 9 comparisons.
> I’ve tried building with CUDA 7.5 and CUDA 8.0 resulting in the same
> failures. Does anyone have a suggestion on what to try next? I’m assuming
> “make test” needs to run without any errors. I suspect maybe the GPU I’m
> using doesn’t have the precision that a Tesla or recent GTX card has.
>
>
> Below is some sample output from the “make install” and the resulting log
> and diff files. The complete contents of the log and diff files can be
> found at https://www.tcnj.edu/~ssivy/amberlogs/
>
> Thanks in advance for any assistance.
>
> ...
>
> make[2]: Leaving directory `/opt/tcnjhpc/amberdev/amber16/test'
> 130 file comparisons passed
> 9 file comparisons failed
> 0 tests experienced errors
> Test log file saved as /opt/tcnjhpc/amberdev/amber16/
> logs/test_amber_cuda/2016-08-24_11-35-41.log
> Test diffs file saved as /opt/tcnjhpc/amberdev/amber16/
> logs/test_amber_cuda/2016-08-24_11-35-41.diff
> make[1]: Leaving directory `/opt/tcnjhpc/amberdev/amber16/test'
>
>
> Example from log file:
>
> ==============================================================
> cd cellulose/ && ./Run.cellulose_nvt DPFP /opt/tcnjhpc/amberdev/amber16/
> include/netcdf.mod
> diffing mdout.cellulose_nvt.GPU_DPFP with mdout.cellulose_nvt
> possible FAILURE: check mdout.cellulose_nvt.dif
> ==============================================================
>
> Example from diff file:
>
> possible FAILURE: check mdout.cellulose_nvt.dif
>
> /opt/tcnjhpc/amberdev/amber16/test/cuda/cellulose
>
> 212c212
>
> < Etot = 5.8651 EKtot = 273.2191 EPtot =
> 276.4278
>
>> Etot = 5.8650 EKtot = 273.2191 EPtot =
> 276.4278
>
> ### Maximum absolute error in matching lines = 1.00e-04 at line 212 field 3
>
> ### Maximum relative error in matching lines = 1.71e-05 at line 212 field 3
>
> ---------------------------------------
>
>
> ------------------------------
> [image: The College of New Jersey] <http://tcnj.pages.tcnj.edu/> Shawn Sivy
> HPC System Administrator
> School of Science
> PO Box 7718 Ewing, NJ 08628-0718
> 609-771-3475
> ssivy.tcnj.edu <email.tcnj.edu>
> _______________________________________________
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Received on Thu Aug 25 2016 - 11:30:02 PDT
