This is usually a problem with your run script. Are you getting any
output or other files from Amber? Are you sure your test systems are
working? Do you have other working run scripts for your system that
you can try?
Melinda Layten
Stony Brook University
On Wed, 1 Sep 2004 05:07:51 -0700 (PDT), tang kwa <nongtangkwa.yahoo.com> wrote:
> Dear all,
>
> Could anybody give me an advise? I am using AMBER8 for
> performing simulation.I could not start production
> run. There is an error message:
>
> [0] MPI Abort by user Aborting program !
> [0] Aborting program!
> p0_5658: p4_error: : 1
>
> Thank you.
>
> TK
>
> here is my input
> --------------------------------
> test
> &cntrl
> imin =0, irest =1, ntx=7,
> ntb=2, pres0= 1.0, ntp= 1,
> taup=2.0,
> cut=12.0, ntr=0,
> ntc=2, ntf=2, tol=0.000001,
> tempi = 300.0, temp0 = 300.0,
> ntt = 3, gamma_ln = 1.0,
> nstlim=250000, dt= 0.002, saltcon=0.1,
> ntpr=10, ntwr=10, ntwx=10,
> nmropt=1,
>
> &wt
> type='DUMPFREQ', istep1=1,
>
> &end
> &wt
> type='END',
>
> &end
> DISANG=RST
> DUMPAVE=chi_vs_t.10
> LISTIN=POUT
> LISTOUT=POUT
>
> -------RST file------------
> # 90 atoms read from pdb file 000.pdb.
> # 1 MOL CHIr:(1 MOL C7)-(1 MOL O1)-(2 MOL C7)-(2 MOL
> O1) 180.0 180.0
> &rst iat = 23, 1, 68, 46,
> r1 = -60.0, r2 = 0.0, r3 = 0.0, r4 = 60.0,
> rk2 = 10.0, rk3 = 10.0, &end
>
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Received on Thu Sep 02 2004 - 01:15:13 PDT
