Dear Siesta Users, I am calculating force using siesta. I have used same geometry, same .psf, same type of INPUT.fdf and same number of processors (in siesta-mpi run) for 60 siesta jobs. All are completed without any error except one in which I have got the following error message-
..................................................... Floating point exception signaled at 2b8c99a090c7: floating point divide by zero [161:21920] *** Process received signal *** [161:21920] Signal: Aborted (6) [161:21920] Signal code: (-6) [161:21920] *** End of error message *** ......................................................................................... Now my question is What is the reason behind this error? Please suggest for correction. Here I have attached INPUT.fdf and poscar.fdf.(containing geometry). I am waiting for any suggestion. Thanking you in advance. Sincerely Bedamani
POSCAR.fdf
Description: application/vnd.fdf
INPUT.fdf
Description: application/vnd.fdf