AMBER Archive (2003)

Subject: memory problem

From: zhaoxc_at_puccini.che.pitt.edu
Date: Wed Jul 09 2003 - 08:34:09 CDT

Hi,

I am trying to run a job with the AMBER 7 on PSC CrayT3E. The system is
about 13000 atoms and had been equilibrated on my PC. When I try an
interactive run on CrayT3E with 16 cpus, the on screen print out is like
-------------------------------------------------------------------------
-MPI- ABORT called: world rank 0, comm 0
SIGNAL: Abort ( from process 69208 )

 Beginning of Traceback (PE 0):
  Interrupt at address 0x8001e8c10 in routine '_lwp_kill'.
  Called from line 30 (address 0x8001e8330) in routine 'raise'.
  Called from line 127 (address 0x8001b89a0) in routine 'abort'.
  Called from line 287 (address 0x8002cf90c) in routine 'MPI_Abort'.
  Called from line 3390 (address 0x800346828) in routine 'MPI_ABORT'.
  Called from line 437 (address 0x80014aef8) in routine 'MEXIT'.
  Called from line 966 (address 0x80005f7ec) in routine 'LOCMEM'.
  Called from line 1259 (address 0x800002158) in routine 'SANDER'.
  Called from line 475 (address 0x800000c94) in routine '$START$'.
 End of Traceback.
Abort (core dumped)
-----------------------------------------------------------------

and the md.out error is like

---------------------------------------------------------

     Real Memory requirement of: 1164581 exceeds MAXREA of 900000

     Static Integer Memory requirement of: 849480 exceeds MAXINT of
500000

| Memory Use Allocated Used
| Real 900000 1164581
| Hollerith 400000 95317
| Integer 500000 849480

| Max Nonbonded Pairs: 5400000
  ** Redimension and recompile
----------------------------------------------------------------------

for this problem, what can I do? I contacted PSC expert but get no
response yet, hope somebody here can give me some suggestions.

Thanks.

Xiongce Zhao

~ 

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 Xiongce Zhao			Phone:412-624-9630
 1249 Benedum Hall		Fax:412-624-9639
 University of Pittsburgh	Email:zhaoxc_at_puccini.che.pitt.edu
 Pittsburgh, PA 15261		Second Email:zhaoxc_at_yahoo.com
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