[Smeagol-discuss] Error in compiling Smeagol

[farhang fallah]

I have solved some examples with siesta 3.0 and now I am rather familiar
with it. However, I encountered a problem in compiling siesta 
1.3 with the smeagol package. I followed the procedure in the README file
and after executing the "make" command, it gives me the 
following error:

farhang at farhang-EP41T-UD3L:~/DFTGF/Smeagol/smeagol.1.0b/Src$ make

Compilation architecture to be used: pg-mpif90
If this is not what you want, create the right
arch.make file using the models in Sys

Hit ^C to abort...

==> Information about compiler and flags
sed  "s/SIESTA_ARCH/pg-mpif90/g" version.F90 > temp0.F
sed  "s/FFLAGS/ /g" temp0.F > temp.F
/usr/support/mvapich-0.9.5--pathscale-2.2.1/bin/mpif90 -c -m64
-mtune=opteron -mieee-fp -zerouv -OPT:Ofast -O2   -DMPI temp.F
make: /usr/support/mvapich-0.9.5--pathscale-2.2.1/bin/mpif90: Command not
found
make: *** [version] Error 127

I think that it should probably be resolved by following this part of the
README file:

"5. Edit the arch.make file to include the appropriate compilation flags,
location
  of ScaLapack, BLACS, lapack and BLAS libraries, etc."

But I do not know exactly how to do these as I am new to siesta. 

I would truly appreciate it if you can guide me about this problem.

Sincerely,

Farhang Fallah,

Iran University of Science and Technology