Hi all,
I installed Amber11 on my SLED11sp1, with Intel(R) 64 Compiler(C++, fortran MKL),Version 12.0.4.191 and the latest CUDA4.0 toolkit on my Desktop.
after I did "make -cuda intel" and test the serial cuda version(cd $AMBERHOME/test; make test.cuda), Something went wrong in the log
./Run.tip4pew_oct_nvt: Program error
Below is the deviceQuery output and log detail.
Thanks for any suggestions
./deviceQueryDrv
[deviceQueryDrv] starting...
CUDA Device Query (Driver API) statically linked version
There is 1 device supporting CUDADevice 0: "NVS 4200M"
CUDA Driver Version: 4.0
CUDA Capability Major/Minor version number: 2.1
Total amount of global memory: 512 MBytes (536412160 bytes)
( 1) Multiprocessors x (48) CUDA Cores/MP: 48 CUDA Cores
GPU Clock rate: 1.48 GHz
Memory Clock rate: 800.00 Mhz
Memory Bus Width: 64-bit
L2 Cache Size: 65536 bytes
Max Texture Dimension Sizes 1D=(65536) 2D=(65536,65535) 3D=(2048,2048,2048)
Max Layered Texture Size (dim) x layers 1D=(16384) x 2048, 2D=(16384,16384) x 2048
Total amount of constant memory: 65536 bytes
Total amount of shared memory per block: 49152 bytes
Total number of registers available per block: 32768
Warp size: 32
Maximum number of threads per block: 1024
Maximum sizes of each dimension of a block: 1024 x 1024 x 64
Maximum sizes of each dimension of a grid: 65535 x 65535 x 65535
Texture alignment: 512 bytes
Maximum memory pitch: 2147483647 bytes
Concurrent copy and execution: Yes with 1 copy engine(s)
Run time limit on kernels: Yes
Integrated GPU sharing Host Memory: No
Support host page-locked memory mapping: Yes
Concurrent kernel execution: Yes
Alignment requirement for Surfaces: Yes
Device has ECC support enabled: No
Device is using TCC driver mode: No
Device supports Unified Addressing (UVA): Yes
Device PCI Bus ID / PCI location ID: 1 / 0
Compute Mode:
< Default (multiple host threads can use ::cudaSetDevice() with device simultaneously) >
[deviceQueryDrv] test results...
PASSED
==============================================================
cd dhfr/ && ./Run.dhfr.ntb2 -1 SPDP netcdf.mod
diffing mdout.dhfr.ntb2.GPU_SPDP with mdout.dhfr.ntb2
possible FAILURE: check mdout.dhfr.ntb2.dif
==============================================================
...
...
...
==============================================================
cd tip4pew/ && ./Run.tip4pew_box_nvt -1 SPDP netcdf.mod
diffing mdout.tip4pew_box_nvt.GPU_SPDP with mdout.tip4pew_box_nvt
PASSED
==============================================================
cd tip4pew/ && ./Run.tip4pew_box_npt -1 SPDP netcdf.mod
diffing mdout.tip4pew_box_npt.GPU_SPDP with mdout.tip4pew_box_npt
possible FAILURE: check mdout.tip4pew_box_npt.dif
==============================================================
cd tip4pew/ && ./Run.tip4pew_oct_nvt -1 SPDP netcdf.mod
./Run.tip4pew_oct_nvt: Program error
make[2]: *** [test.pmemd.cuda.pme] Error 1
make[2]: Target `test.pmemd.cuda' not remade because of errors.
make[2]: Leaving directory `/soft/amber11/test/cuda'
make[1]: *** [test.pmemd.cuda] Error 2
make[1]: Target `test.serial.cuda' not remade because of errors.
make[1]: Leaving directory `/soft/amber11/test'
50 file comparisons passed
2 file comparisons failed
7 tests experienced errors
Test log file saved as logs/test_amber_cuda/2011-08-28_19-16-34.log
Test diffs file saved as logs/test_amber_cuda/2011-08-28_19-16-34.diff
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Received on Sun Aug 28 2011 - 05:00:02 PDT
