Hi Jan,
Can you possibly try this with the GNU compilers? I've not tried the very
latest Intel so am not sure if that is the problem. I've only seen this
problem with undercooled M2090 cards where the card itself locks up but
that normally requires a reboot to get things working again.
What driver are you running btw? cat /proc/driver/nvidia/version
All the best
Ross
On 8/22/12 8:00 AM, "Jan-Philip Gehrcke" <jgehrcke.googlemail.com> wrote:
>Hello,
>
>I have just built Amber 12 cuda on Ubuntu 12.04 with Intel 12.1.3 and
>NVCC 4.2 V0.2.1221 and then invoked the test suite on a Tesla C2075.
>
>The test below did not produce output for about 40 minutes (I then
>killed the pmemd.cuda process):
>
>> cd gb_ala3/ && ./Run.irest1_ntt2_igb1_ntc2 SPDP
>>/apps11/bioinfp/amber12_centos58_intel1213_openmpi16/amber12/include/netc
>>df.mod
>>
>> Killed
>> ./Run.irest1_ntt2_igb1_ntc2: Program error
>
>With "did not produce output" I mean that it did not change the mdout
>file anymore. These are the last lines in the mdout file before and
>after killing the process:
>
>
>> | Intermolecular bonds treatment:
>> | no_intermolecular_bonds = 1
>>
>> | Energy averages sample interval:
>> | ene_avg_sampling = 1
>>
>>
>>-------------------------------------------------------------------------
>>-------
>> 3. ATOMIC COORDINATES AND VELOCITIES
>>
>>-------------------------------------------------------------------------
>>-------
>>
>> ACE
>> begin time read from input coords = 1050.000 ps
>
>The tests before this one (about 20 of them) PASSED. While I am writing
>this email, the test suite proceeds. However, it currently hangs at
>
>> cd myoglobin/ && ./Run_md_myoglobin
>
>for already about 15 minutes which is suspicious, right?
>
>If I will have to kill this one, too, and maybe others, I will rerun the
>tests and see if the same tests are hanging or if they are hanging
>randomly. I'll then get back to you.
>
>Have you seen such behavior before?
>
>Any suggestion would be helpful.
>
>Thanks,
>
>Jan-Philip
>
>
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Received on Wed Aug 22 2012 - 08:30:05 PDT
