Hi Everyone,
I was trying to run the example file (given in the manual) for Dynamic Nucleation Theory Monte Carlo in NWCHEM6.0. However I got errors constantly. The errors are like following:
everyone should have an open file at this point
********** Setting Up DNTMC Info **********
*******************************************
Made it through the initial config setup
NSPC = 2
NMOLS = 10
TEMP = 243.00 K
MCSTPS= 1.00E+06
Trans Max Disp = 4.00E-02 Ang
Rot Max Disp = 6.00E-02 rad
Restart files written
Start Run
RMIN = 3.25
RMAX = 12.25
R-Config Methodology
NGROUPS = 1
Made it through initialization
********** Starting MC Loop ***************
*******************************************
0:Segmentation Violation error, status=: 11
(rank:0 hostname:login002 pid:13464):ARMCI DASSERT fail. signaltrap.c:SigSegvHandler():301 cond:0
Last System Error Message from Task 0:: No such file or directory
0: ARMCI aborting 0 (0).
0: ARMCI aborting 0 (0).
system error message: Illegal seek
I checked the manual everywhere and still can figure out what happened here. Does anyone have some idea about it and help me out. I really appreciate it. Thank you very much.
Sincerely,
Wen Xu
Chemistry Department
Texas A&M University, College Station