Date:
2009-09-18 20:27 |
Priority:
3 |
State:
Open |
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Submitted by:
Jeanette Schmidt (jeanette)
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Assigned to:
Christopher Bruns (cmbruns)
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Summary:
When using an incomplete CUDA 2.3 install on mac, Zephyr gives little (to no) indication that anything went wrong |
| Detailed description |
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Running Zephyr 0.9 on Mac Book Pro --
Had CUDA 2.3 installed but the driver "uninstalls" itself with every restart the mac. This is a Cuda problem.
Tried running Zephyr with this broken CUDA install (which might be a common problem)
The result:
At first sight: Zephyr gives no apparent feedback that anything went wrong -- it launches VMD but after that apparently happily stops and produces no trajectory.
It would be nice for Zephyr to tell the user that it attempted to use the GPU acceleration but failed.
Upon close examination of the Zephyr.log file I found that it ended as follows: (look at line 2)
GMX: Back Off! I just backed up ener.edr to ./#ener.edr.13#
GMX: Posq: cudaMalloc in CUDAStream::Allocate failed no CUDA-capable device is available
ZEPHYR/GMX:
Program mdrun completed.
ZEPHYR/VMD: axes location off
ZEPHYR/VMD: color Display Background white
ZEPHYR/VMD: mol new "alanylalanine_capped_processed.box.em.gro"
ZEPHYR/VMD: set ::zephyr::mol [expr [molinfo num] - 1]
ZEPHYR/VMD: mol top $::zephyr::mol
ZEPHYR/VMD: mol representation Licorice 0.3 10 10
ZEPHYR/VMD: mol modrep 0 $::zephyr::mol
ZEPHYR/VMD: imd transfer 1
ZEPHYR/VMD: imd keep 1
In contrast a successful run does the following (look at line 2)
GMX: Back Off! I just backed up ener.edr to ./#ener.edr.15#
GMX: OpenMM Platform: Reference
GMX: starting mdrun 'Protein'
GMX: 50000 steps, 100.0 ps.
GMX: Opening socket connection to VMD on port 3000...
GMX: Waiting for IMD socket connection to VMD on port 3000...
ZEPHYR/VMD: ::zephyr::retryCommand "imd connect localhost 3000" 5 1500
GMX: Log file opened on Fri Sep 18 11:59:38 2009
GMX: Waiting for IMD socket connection to VMD on port 3000...
VMD: Info) Connected to same-endian machine
GMX: Host: DN0a20fae2.SUNet pid: 142 nodeid: 0 nnodes: 1
VMD: Info) Using multithreaded IMD implementation.
GMX: The Gromacs distribution was built Tue Aug 25 13:32:42 PDT 2009 by
VMD: Zephyr command to vmd succeeded (::zephyr::retryCommand "imd connect localhost 3000" 5 1500)
GMX: cmbruns@simbios-mcsvr-2.Stanford.EDU (Darwin 9.7.0 i386)
GMX:
GMX:
GMX: :-) G R O M A C S (-:
G
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