Peter,
thank you again for suggestions. Indeed without python modules openMM have been compiled without problems.
But that have not solved main issue
In particular I've tried to compile openMM with Cuda-5 and Cuda-4.1 but on the any test-programs I've obtain the bellow error
Code: Select all
There are 2 Platforms available:
1 Reference - Successfully computed forces
2 Cuda
Traceback (most recent call last):
File "testInstallation.py", line 29, in <module>
simulation = Simulation(pdb.topology, system, integrator, platform)
File "/usr/local/lib/python2.7/dist-packages/simtk/openmm/app/simulation.py", line 77, in __init__
self.context = mm.Context(system, integrator, platform)
File "/usr/local/lib/python2.7/dist-packages/simtk/openmm/openmm.py", line 4594, in __init__
this = _openmm.new_Context(*args)
Exception: cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
Also below you can find log from DeviceQuery of the Cuda-5
Code: Select all
Detected 1 CUDA Capable device(s)
Device 0: "GeForce GTX 670"
CUDA Driver Version / Runtime Version 5.0 / 5.0
CUDA Capability Major/Minor version number: 3.0
Total amount of global memory: 2047 MBytes (2146762752 bytes)
( 7) Multiprocessors x (192) CUDA Cores/MP: 1344 CUDA Cores
GPU Clock rate: 980 MHz (0.98 GHz)
Memory Clock rate: 3004 Mhz
Memory Bus Width: 256-bit
L2 Cache Size: 524288 bytes
Max Texture Dimension Size (x,y,z) 1D=(65536), 2D=(65536,65536), 3D=(4096,4096,4096)
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: 65536
Warp size: 32
Maximum number of threads per multiprocessor: 2048
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: 2147483647 x 65535 x 65535
Maximum memory pitch: 2147483647 bytes
Texture alignment: 512 bytes
Concurrent copy and kernel 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
Alignment requirement for Surfaces: Yes
Device has ECC support: Disabled
Device supports Unified Addressing (UVA): Yes
Device PCI Bus ID / PCI location ID: 2 / 0
Compute Mode:
< Default (multiple host threads can use ::cudaSetDevice() with device simultaneously) >
deviceQuery, CUDA Driver = CUDART, CUDA Driver Version = 5.0, CUDA Runtime Version = 5.0, NumDevs = 1, Device0 = GeForce GTX 670
Unfortunately I could not compile deviceQuery with the SDK-4.1 ( there were no problems with the 5-.0 SDK) due to that error
Code: Select all
make[2]: Entering directory `/home/own/SDK/C/src/nbody'
/usr/bin/ld: cannot find -lXi
/usr/bin/ld: cannot find -lXmu
collect2: ld returned 1 exit status
make[2]: *** [../../bin/linux/release/nbody] Error 1
make[2]: Leaving directory `/home/own/SDK/C/src/nbody'
make[1]: *** [src/nbody/Makefile.ph_build] Error 2
make[1]: Leaving directory `/home/own/SDK/C'
make: *** [all] Error 2
so if you also know possible ways to fix it I'll be very thankful
Do you know any possible solutions of the compatibility of my video card with the openMM ? Might I try to use latest nvidia gpu driver (now i'm using 304.54) for instance with the 4.1 CUDA ?
James S.
