Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel

Here are some of my compiler options for WIEN2k: FOPT:-mkl -O -FR -mp1 -w -prec_div -pc80 -pad -ip -g -DINTEL_VML -DMKL_LP64 -traceback -assume buffered_io -I$(TACC_MKL_INC) FPOPT:-mkl -O -FR -mp1 -w -prec_div -pc80 -pad -ip -g -DINTEL_VML -DMKL_LP64 -traceback -assume buffered_io

Re: [Wien] Getting "Segmentation fault / execvp" error when running WIEN2k_23.2 in parallel

Hi, thank you for the responses Yes, sorry the dayfile was from a different test run. The run using "./wien2k_tasks_v4.sh 2 4" shows it as: > lapw0 -p (12:51:21) starting parallel lapw0 at Thu Mar 23 12:51:21 CD$ .machine0 : 2 processors ** lapw0 crashed! .machines

[Wien] w2web fat band plortting does not work with limited energy range in case.inq

Dear All, To limit the size of the case.qtl I often limit the energy range and the printed atoms in case.inq. For example, out of many atoms I only use 2 atoms, and I set the -1 to 1 range: -1.0 1.0 Emin Emax 2 number of atoms 3 1 0 1