UT theoretical chemistry code forum

Ooops... it was not the right version; this is the error now: c569-n6@calatayu> ./bader -p all_atom CHGCAR Unknown option "all_atom" And when I try "-p all", it starts but never ends... here the beginning of the output calatayu --------- OPEN ... CHGCAR VASP-STYLE INPUT FILE FFT-...

Compilation is ok now, but still does not recognize the -p option :
-p DOES NOT EXIST IN THIS DIRECTORY

thanks again
calatayu

I find some compilation problems on Opteron procs... The Makefile.pgf90 compiles ok although it is the old version ("-p" DOES NOT EXIST...). I took the OBJS from the makefile.xlf and then it crashes: m2c -o kind_mod.o kind_mod.mod make: m2c: Command not found make: *** [kind_mod.o] Error 1...

Dear all,

I wonder if this option is already available, I'm also interested in the volumes.

Regards,
calatayu