[AMBER-Developers] pmemd.cuda errors (run-time, not compilation)

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 10 Mar 2010 11:54:46 -0500


I'm having some trouble with pmemd.cuda. There is a bit of confusion
with the different cuda versions, but I'm getting the same error with
cuda 3.0 on Ross's website (changing #if 1 to #if 0 to get rid of the
hack) and the beta version on the website where I keep the hack.

[swails.tesla1 test]$ make test.pmemd.cuda
cd cuda && make -k test.pmemd.cuda
make[1]: Entering directory
export TESTsander='../../../exe/pmemd.cuda'; cd gb_ala3/ && ./Run.igb1_ntc1_min
cudaMalloc GpuBuffer::Allocate failed unspecified driver error
  ./Run.igb1_ntc1_min: Program error
make[1]: *** [test.pmemd.cuda.gb] Error 1
export TESTsander='../../../exe/pmemd.cuda'; cd 4096wat/ && ./Run.pure_wat
cudaMemcpyToSymbol: SetSim copy to cSim failed unspecified driver error
  ./Run.pure_wat: Program error
make[1]: *** [test.pmemd.cuda.pme] Error 1
make[1]: Target `test.pmemd.cuda' not remade because of errors.
make[1]: Leaving directory
make: *** [test.pmemd.cuda] Error 2

nvcc does point to the one in the 3.0 release, and $CUDA_HOME/lib64
appears in my LD_LIBRARY_PATH before the 2.3 version on the system. I
also get the same error regardless of how I build it (SPDP, SPSP, DPDP
in both the pmemd Makefile and amber's Makefile).

Any ideas?


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER-Developers mailing list
Received on Wed Mar 10 2010 - 09:00:06 PST
Custom Search