Dear WIEN2K developers and users, I am running the latest WIEN2K_19.1 on a Linux machine with Intel 184.108.40.206 compiler set and MKL math libraries.
I ran a test on a water molecule, and it passed the serial execution. However, when I ran it in parallel on two nodes with the following .machines file: granularity:1 lapw0: machine1 machine2 1:machine1 machine2 Extrafine:1 It crashed with error messages in file “lapw1.error” as **. Error in Parallel LAPW1’ **. LAPW1 STOPPED **. Check ERROR FILES! SEP INFOR = -21 ‘SECLR4’ - SYEVX (Scalapack/LAPACK) failed. ‘Unknow’ - Process termination signal received. Can you please help me fix this problem on the parallel version of lapw1? Thanks. Hanning Chen, Ph.D. Department of Chemistry American University Washington, DC 20016
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