Dear Quantum ESPRESSO Community I have tried to run the diamond example from espresso-5.2.1/PP/examples/WAN90_example using Wannier90-2.0.1 and QE 5.0.2. pw2wannier is compiled in stand-alone mode with QE 5.0.2.
After running the example I get the message : <== Stand-alone Mode ==> running wannier90 -pp for diamond... done running pw2wannier90 in stand-alone mode for diamond... Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x2B943B004667 #1 0x2B943B004C34 #2 0x2B943BC0C1DF #3 0x2B94370286B3 #4 0x448E40 in generate_guiding_functions_ at pw2wannier90.f90:2210 #5 0x44946F in compute_amn_ at pw2wannier90.f90:1998 #6 0x452A81 in pw2wannier90 at pw2wannier90.f90:245 ./345.mlwfs: line 137: 32693 Segmentation fault $PW2WAN_COMMAND < diamond.pw2wan.sa.in > diamond.pw2wan.sa.out done running wannier90 for diamond... Error: Problem opening input file diamond.sa.mmn Error: examine the output/error file for details done The scf and nscf calculations are alright. Any suggestions, please ? Thanking you, Neculai ********************************************** N. Plugaru National Institute of Materials Physics Atomistilor Str. 105 bis, 077125 Bucharest-Magurele, Ilfov, Romania. Phone: 0040 21 2418 221 (Office) Fax : 0040 21 3690 177 e-mail: [email protected] http://www.infim.ro/ ********************************************** _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
