Dear Amber users,
I am using pmemd for my simulation. My simulation was running fine for small duration 50ps or 100ps. When i submitted a job for 1ns, it gets interrupted without any error in the output file. I have written the error i am getting below. I am using 50 processor for my job. Kindly someone suggest me on this.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libvapi.so 0000002A96BEF4AF Unknown Unknown Unknown
srun: error: n71: task2: Exited with exit code 174
srun: Terminating job
srun: error: n70: task0: Exited with exit code 174
--------------------------------------------------------------------------------
The following is my input file
&cntrl
imin=0,ntx=7,irest=1,
ntpr=100,ntwx=500,
ntb=2,cut=10.0,
ntr=1,nstlim=1000000,
ntt=3,gamma_ln=1,tempi=300.0,temp0=300.0,
ntp=1,
ntc=2,ntf=2
/
Hold the nuclic acid
5.0
RES 1 25
END
END
thanks in advance,
c.bala
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 17 2006 - 06:07:13 PDT
