Dear Amber experts,
I woud be very happy if you could help me..
I cannot run an NVT simulation with pmemd.cuda, I immediateIy (only step
number 0 is printed in mdout) obtain this cuda error, regarding kshake.cu:
Error: invalid configuration argument launching kernel kShake
No problem with serial or MPI versions.
I checked if the code needs to be patched, but update_amber reports that
the code is updated.
The output of nvidia_smi follows.
+------------------------------------------------------+
| NVIDIA-SMI 4.304.54 Driver Version: 304.54
|
|-------------------------------+----------------------+----------------------+
| GPU Name | Bus-Id Disp. | Volatile Uncorr.
ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
M. |
|===============================+======================+======================|
| 0 Tesla S2050 | 0000:0F:00.0 Off |
0 |
| N/A 58C P1 N/A / N/A | 0% 6MB / 2687MB | 0%
Default |
+-------------------------------+----------------------+----------------------+
| 1 Tesla S2050 | 0000:10:00.0 Off |
0 |
| N/A 58C P1 N/A / N/A | 0% 6MB / 2687MB | 0%
Default |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Compute processes: GPU
Memory |
| GPU PID Process name
Usage |
|=============================================================================|
| No running compute processes
found |
+-----------------------------------------------------------------------------+
Any hints? Need for recompilation?
Thanks everybody
--
==========================================
Lorenzo Gontrani
Research associate - EDXD group
University of Rome "La Sapienza"
GSM +39 338 7615798
Email lorenzo DOT gontrani AT gmail DOT com
Webpage: http://webcaminiti/gontrani.html
=========================================
Rispetta l'ambiente: se non รจ necessario, non stampare
questa e-mail
Protect the environment: do not print this e-mail, unless
necessary
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 21 2014 - 04:00:02 PDT
