EPW Forum

Dear H Lee

I compiled the code with the -heap-arrays option and it worked!

Thanks! this really helps

Best regards,

Carlos Reis,

Dear H Lee

I'm using the intel compiler.

I just ran successfully the example on another machine in which I could set ulimit -s unlimited.

I will try the -heap-arrays option.

That you very much for your suggestions.

Best regards,
Carlos Reis.

Dear H Lee

you are probably right. Unfortunately I'm getting the message when I run ulimit -s unlimited

bash: ulimit: stack size: cannot modify limit: Operation not permitted

If you know a workaround for this please let me know.

Best regards,
Carlos Reis.

Dear H. Lee 1) Here is the result of ulimit -a core file size (blocks, -c) 0 data seg size (kbytes, -d) unlimited scheduling priority (-e) 0 file size (blocks, -f) unlimited pending signals (-i) 772373 max locked memory (kbytes, -l) unlimited max memory size (kbytes, -m) unlimited open files (-n) 32...

Dear epw users and developers I'm using this input file for scf: &CONTROL calculation = 'scf', pseudo_dir = '.', title = ' 1 -1 2 2 -2 -1 2 -1 0 fcc SL' , wf_collect = .true., / &SYSTEM ibrav = 0, celldm(1) = 10.2631064800 , nat = 10 , ntyp = 2 , nbnd = 28 , ecutwfc = 20.000 , nr1=48 nr2=48 nr3=48 /...