Hi
yes I am using a cluser machine
When I try to run /u0/z/zz217/USG/amber/9.0/exe/pbsa -O -i pbsa.in
-o pbsa_com.1.out -c ./snapshot_com.crd.1 -p ./GNNQQNYMYRSB.prmtop
I got
mikre.nid00092:~/PRION/MMPBSA> /u0/z/zz217/USG/amber/9.0/exe/pbsa -O
-i pbsa.in -o pbsa_com.1.out -c ./snapshot_com.crd.1 -p
./GNNQQNYMYRSB.prmtop
Illegal instruction
When I checked the pbsa_com.1.out
there is no error message
the head and the tail of the pbsa_com.1.outfile is as follow
head
-------------------------------------------------------
Amber 9 PBSA Scripps/UCSF 2006
-------------------------------------------------------
| Run on 08/16/2009 at 10:17:33
[-O]verwriting output
File Assignments:
| MDIN: pbsa.in
-----
tail
mikre.nid00092:~/PRION/MMPBSA> tail pbsa_com.1.out
SAS Surface: surface dots generated: 366
--------------------------------------------------------------------------------
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
begin time read from input coords = 0.000 ps
Number of triangulated 3-point waters found: 0
thank you
On Sat, Aug 15, 2009 at 6:10 PM, <monnet.jordan.free.fr> wrote:
> Hi,
>
> Are you running the script using a cluster machine? If so, sometimes,
> the error message does not appear...
>
> When you try to run by hand:
>
> /u0/z/zz217/USG/amber/9.0/exe/pbsa -O -i pbsa.in -o pbsa_com.1.out -c ./snapshot_com.crd.1 -p ./GNNQQNYMYRSB.prmtop
>
> What does it say? Is there any error message in pbsa_com.1.out?
>
> --jordan
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Aug 19 2009 - 23:11:55 PDT
