Need all the input data as well. That said,those errors sound like a
hard-drive failure.
On Mon, Dec 5, 2011 at 7:33 PM, Chinh Su Tran To
<chinh.sutranto.gmail.com>wrote:
> 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
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>
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Received on Mon Dec 05 2011 - 21:00:03 PST
