Problem running openmm on Retina MBP
Posted: Sat Feb 23, 2013 10:30 am
I'm having a problem installing / running openmm 5.0 on my 15" retina MBP running OS X 10.8.2 with a Geforce GT650M.
I have installed CUDA 5.0.37 from NVIDIA's website. I can compile and run the deviceQuery and bandwidthTest programs without problem.The output from deviceQuery is below:
I have downloaded and installed the binary version of openmm5.0-mac. When I run testInstallation.py, it gets through the test of the reference platform, but hangs my machine completely when it gets to the cuda platform. I can compile the Hello* example programs, but none of them run successfully. Below is the output from HelloArgon. Running others, e.g. HelloEthane, crashes my machine completely.
I am trying to prepare for the upcoming openmm workshop, so any help would be appreciated. I have turned off automatic graphics switching and my PATH and DYLD_LIBRARY_PATH are set correctly. I have also unsuccessfully tried to build openmm from source, but I run into a number of build errors.
-- Justin
I have installed CUDA 5.0.37 from NVIDIA's website. I can compile and run the deviceQuery and bandwidthTest programs without problem.The output from deviceQuery is below:
Code: Select all
./deviceQuery Starting...
CUDA Device Query (Runtime API) version (CUDART static linking)
Detected 1 CUDA Capable device(s)
Device 0: "GeForce GT 650M"
CUDA Driver Version / Runtime Version 5.0 / 5.0
CUDA Capability Major/Minor version number: 3.0
Total amount of global memory: 1024 MBytes (1073414144 bytes)
( 2) Multiprocessors x (192) CUDA Cores/MP: 384 CUDA Cores
GPU Clock rate: 900 MHz (0.90 GHz)
Memory Clock rate: 2508 Mhz
Memory Bus Width: 128-bit
L2 Cache Size: 262144 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: 1 / 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 GT 650M
Code: Select all
REMARK Using OpenMM platform CUDA
MODEL 1
ATOM 1 AR AR 1 0.000 0.000 0.000 1.00 0.00
ATOM 2 AR AR 1 5.000 0.000 0.000 1.00 0.00
ATOM 3 AR AR 1 10.000 0.000 0.000 1.00 0.00
ENDMDL
libc++abi.dylib: terminate called without an active exception
[1] 1582 abort ./HelloArgon
-- Justin