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-grid: 60 ...

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 127

I ...

Dear all,

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

Regards,
calatayu