While installation of amber with cuda went flawlessly (with -cuda intel
options) and test.cuda passed all of the implicit solvent test, all
explicit tests generates errors:
_Running Extended CUDA Explicit solvent tests._
_ Precision Model = SPFP_
_---------------------------------------------_
_cd 4096wat/ && ./Run.pure_wat SPFP
/home/users/shared/amber12/include/netcdf.mod_
_Error: invalid argument launching kernel kNLGenerateSpatialHash_
_ ./Run.pure_wat: Program error_
_make[3]: [test.pmemd.cuda.pme] Error 1 (ignored)_
_cd 4096wat_oct/ && ./Run.pure_wat_oct_NVE SPFP
/home/users/shared/amber12/include/netcdf.mod_
_Error: invalid argument launching kernel kNLGenerateSpatialHash_
_ ./Run.pure_wat_oct_NVE: Program error_
_make[3]: [test.pmemd.cuda.pme] Error 1 (ignored)_
_......._
_Running CUDA Explicit solvent tests._
_ Precision Model = SPFP_
_------------------------------------_
_cd tip4pew/ && ./Run.tip4pew_box_nvt SPFP
/home/users/shared/amber12/include/netcdf.mod_
_Error: invalid argument launching kernel kNLGenerateSpatialHash_
_ ./Run.tip4pew_box_nvt: Program error_
_make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored)_
_cd tip4pew/ && ./Run.tip4pew_box_npt SPFP
/home/users/shared/amber12/include/netcdf.mod_
_Error: invalid argument launching kernel kCalculateCOM_
_ ./Run.tip4pew_box_npt: Program error_
_make[3]: [test.pmemd.cuda.pme.serial] Error 1 (ignored)_
_....._
_42 file comparisons passed_
_5 file comparisons failed_
_126 tests experienced errors_
Serial and parallel installations passed all the tests, so this must be
problem with the graphics card. My gpu is Tesla c1060, I installed all
the latest drives and toolkits. Any idea what is causing this errors?
Szymon Murawski
Phd. Student
Electron States of Solids Division
Adam Mickiewicz University, Poznań, Poland
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Received on Mon Sep 02 2013 - 07:00:03 PDT
