Search found 3 matches

by songqi
Fri May 27, 2011 4:52 am
Forum: Response calculations
Topic: A Segmentation fault when calculate LiBH4's Raman Spectra
Replies: 3
Views: 3044

Re: A Segmentation fault when calculate LiBH4's Raman Spectr

you need to give more information about the execution - segfault is useless. In particular run without redirecting output and see what the end of stdout is, and also try to run with a debugger to see where the segfault appears. Another possibility is valgrind: valgrind `which abinit` < t.files Matt...
by songqi
Fri May 27, 2011 4:49 am
Forum: Response calculations
Topic: A Segmentation fault when calculate LiBH4's Raman Spectra
Replies: 3
Views: 3044

Re: A Segmentation fault when calculate LiBH4's Raman Spectr

Dear friends:
thank you for your reply, i upload some related files, and waiting for your reply.... :P
by songqi
Mon May 23, 2011 10:09 am
Forum: Response calculations
Topic: A Segmentation fault when calculate LiBH4's Raman Spectra
Replies: 3
Views: 3044

A Segmentation fault when calculate LiBH4's Raman Spectra

tnlo_5.out hello all: when i try to calculated the Raman spectra of LIBH4 by using the tnlo_x serious input files, first i optimize the structure and relax all the atoms. Second, Linear and nonlinear response calculation for LiBH4, for the purpose of get the DDB files. then Merge and Analysis of th...