Dear AMBER users,
I was running pmemd.cuda using Amber11 on a GPU which is installed in a
workstation.
The process was of 2 steps of short minimizations and a 6ns of heating the
protein (270 residues) at 500K.
The minimizations were fine, but when i ran the heating, my system
"crashed". The errors are as below:
*[2932683.628873] EXT4-fs (sda1): previous I/O error to superblock detected*
*
[2932683.646789] EXT4-fs (device sda1): ext4_find_entry:933: inode#9699494:
comm init: reading directory lblock 0**
*
*
*
I re-booted the system, and tried to run it again. The same errors came.
My input file is:
&cntrl
imin=0,
* iwrap=1 => I also tried iwrap=0*
irest=0,
ntx=1,
ntb=1,
cut=10.0,
ntr=0,
ntc=2,
ntf=2,
tempi=500.0,
temp0=500.0,
ntt=3,
gamma_ln=1.0,
nstlim=3000000, dt=0.002,
ntpr=1500, ntwx=1500,ntwr=1000
/
*
*
*
*
We tried to find out what was going on, but we did not know where the crash
came from?
Please help.
Thank you.
Regards,
Chinsu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 05 2011 - 20:00:02 PST
