[Wien] Which mpi?

Dear all: Below my comment is based not only on Wien2k but on other ab-initio/first-principles codes in which relatively larger memory is consumed and the number of iteration is fewer, than, say, molecular dynamics codes. With the introduction of an mpi benchmark (thanks Peter), I would like

[Wien] strange time using -it switch

I think I am using $SCRATCH. In my .cshrc file, I have the line, setenv SCRATCH ./ This machine is a shared memory machine, 4 CPUs in one node. Since the communication between nodes is slow, I only use one node in k-point parallel style NOT MPI parallel. The same thing happens on our IBM Linux

[Wien] strange time using -it switch

I can hardly help without more info. Anyway, without a local SCRATCh dir even without $para it should be ok. (execute vec2old_lapw -p on the commandline in this subdir. What do you get ? Eventually change the first line of the script to -fx.) Yes, of course the iterative diagonalization needs