AMBER Archive (2006)

Subject: AMBER: pmemd error

From: bala (bala_at_igib.res.in)
Date: Thu Sep 14 2006 - 10:34:12 CDT

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

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