Hi,
When I try to run the backward step of the GIBBS ( lamda 0 to 1) the
program crahses at the last step of the first lamda ( i.e. If I use
1000 steps for equilibration and 2000 steps of data collection for each
lamda, the program crashes after the 2999 steps).
It is happening in the routine slwadj.f at line 390, SLOP = YY/DULX.
It is interesting that the code should go to the routine slwadj.f only
if the parameter ISLDYN=1. My input file says ISLDYN=3, but inside the
code at some point it is changing to 1.
Can anyone help me with this problem? Thanks.
Pradipta
Received on Fri Oct 19 2001 - 13:43:41 PDT
