Hello!
I am trying to run pmemd.cuda (AMBER11, ubuntu 10.04) with an nvida GT240.
I installed the CUDA SDK and the latest card driver.
the deviceQueryDrv output is:
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ros.cuda:~/NVIDIA_GPU_Computing_SDK/C/bin/linux/release$ ./deviceQueryDrv
CUDA Device Query (Driver API) statically linked version
There is 1 device supporting CUDA
Device 0: "GeForce GT 240"
CUDA Driver Version: 3.10
CUDA Capability Major revision number: 1
CUDA Capability Minor revision number: 2
Total amount of global memory: 1073020928 bytes
Number of multiprocessors: 12
Number of cores: 96
Total amount of constant memory: 65536 bytes
Total amount of shared memory per block: 16384 bytes
Total number of registers available per block: 16384
Warp size: 32
Maximum number of threads per block: 512
Maximum sizes of each dimension of a block: 512 x 512 x 64
Maximum sizes of each dimension of a grid: 65535 x 65535 x 1
Maximum memory pitch: 2147483647 bytes
Texture alignment: 256 bytes
Clock rate: 1.34 GHz
Concurrent copy and execution: Yes
Run time limit on kernels: Yes
Integrated: No
Support host page-locked memory mapping: Yes
Concurrent kernel execution: No
Device has ECC support enabled: No
PASSED
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I compile the serial version of AMBER11 and all the test pass ok. Then
compile the pmemd.cuda following instruccions in the AMBER manual.
It compiles ok, but the test show:
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ros.cuda:/usr/local/amber11/test$ ./test_amber_cuda.sh
[: 35: unexpected operator
[: 42: unexpected operator
cd cuda && make -k test.pmemd.cuda GPU_ID= PREC_MODEL=
make[1]: Entering directory `/usr/local/amber11/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
Precision Model =
GPU_ID =
------------------------------------
cd gb_ala3/ && ./Run.igb1_ntc1_min netcdf.mod
../../../exe/pmemd.cuda_: Command not found.
./Run.igb1_ntc1_min: Program error
make[1]: *** [test.pmemd.cuda.gb] Error 1
------------------------------------
Running CUDA Explicit solvent tests.
Precision Model =
GPU_ID =
------------------------------------
cd 4096wat/ && ./Run.pure_wat netcdf.mod
../../../exe/pmemd.cuda_: Command not found.
./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 `/usr/local/amber11/test/cuda'
make: *** [test.pmemd.cuda] Error 2
make: Target `test.serial.cuda' not remade because of errors.
0 file comparisons passed
0 file comparisons failed
7 tests experienced errors
Test log file saved as logs/test_amber_cuda/2010-07-19_11-08-57.log
No test diffs to save!
------------------------------------------------------------------------------------------------------------------------------------------------
Any help would be great.
Thank you!
Rodrigo
------------------------------
Depto de Fisicoquimica
Instituto de Quimica
UNAM
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Received on Mon Jul 19 2010 - 09:30:03 PDT
