[Wien] Error in paralel Lapw1

Hi Dr/ Blaha Thanks you for your reply I took smaller k value 12 in 5x5x3 grid(100 k points i defined). I got the same mistake. I have computer which has 64 GB Ramand i have 16 core (intel xeon processes). My machine file is .machines is the control file for parallel execution. Add lines like #

Re: [Wien] Error in paralel Lapw1

We still don't know much about your case. Please modify your .machinesfile and use only 2 instead of 16 lines with 1:localhost If this solves the problem, increase it to 4 or 6 (when you have 12 k-points) or 8 (if you have more k-points). Also uncomment omp_global:2 or 4 Then you are still

Re: [Wien] Error in paralel Lapw1

You might also check what OMP_NUM_THREADS is set to on your system in .bashrc or .cshrc? For example, on my Ubuntu system, I do: username@computername:~/Desktop$ grep OMP_NUM_THREADS ~/.bashrc export OMP_NUM_THREADS=1 As you can see I'm using a different value than the default that would