Dear WIEN2k mailing list,
While computing atomic energies using a large fcc cell (→ http://www.wien2k.at/reg_user/faq/cohesive_energies.html) with WIEN2k 21, I have encountered the following during the execution of the nn program: ------------------------------------------------------------------------------------------------------------------------ Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x15425d0e132a #1 0x15425d0e0503 #2 0x15425c97603f #3 0x15425d2627f8 #4 0x15425d263bca #5 0x15425d25b07c #6 0x15425d25b6dc #7 0x55d75388641a #8 0x55d753881fbe #9 0x15425c958bf6 #10 0x55d753881fe9 #11 0xffffffffffffffff Segmentation fault (core dumped) 0.019u 0.000s 0:03.11 0.3% 0+0k 0+24io 0pf+0w error: command /home/WIEN2k/nn nn.def failed stop error This only happens for cell parameters greater than 15.5 Bohr (or NN-DIST *>* 11 Bohrs). Replacing the current nn program with an older version solves the problem for me. Is there a bug in the recent version of nn? Best Regards, Alay-e-Abbas
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