AMBER Archive (2004)

Subject: AMBER: sander error

From: Rukman Hertadi (rhertadi_at_bio.titech.ac.jp)
Date: Thu Aug 05 2004 - 23:33:41 CDT

Hi!

I have installed amber8 in RedHat linux using ifort compiler. The
installation looks OK, because I can passed all of the make test at
$AMBERHOME/test. However, when I tried to run minimization to my real
system, I found the following error:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
sander 080AF363 Unknown Unknown Unknown
sander 080B5B2D Unknown Unknown Unknown
sander 08079811 Unknown Unknown Unknown
sander 080785DE Unknown Unknown Unknown
sander 08152EB4 Unknown Unknown Unknown
sander 42015574 Unknown Unknown Unknown
sander 0804A161 Unknown Unknown Unknown

I think it is not related to my input file since I could successfully
run the same input file to amber8 installed in our SGI machine. Probably
I missed something when installed amber8 in our linux machine, some
environment setting or others. If anybody ever solved this type of
problem please share.

Rukman 

----

following is the input file for the minimization.

 &cntrl
  imin = 1, maxcyc = 5000,
  ntpr = 10, ntf = 2, dt=0.002, tol = 0.000001,
  ntb = 0,
  cut = 30, scnb = 2.0, scee = 1.2,
  igb = 2, saltcon = 0.1, nrespa=1,
  icnstph = 1, solvph = 3.0, ntcnstph = 5,
 /

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