[Pw_forum] installation problems with pwscf version >= 2.0 !

Taner Yildirim taner at nist.gov
Thu Apr 22 01:38:11 CEST 2004

  Dear PWSCF Users,

I have two questions related to the installation of pwscf:

Question 1)

I was just wondering if there is anyone out there who successfully
compiled pwscf (version 2.0 or above) using pgi 5.1 and mpich
for linux (RedHat 8.0, xeon processors)????

We managed to compile it and get an executable. However
it does not work for most of the systems. For example, It fails
 in example 2 (when computing electric fields for Gamma phonons).! 

Question 2)
I also tried to install pwscf 2.02 (or 2.0 , same problem) in our
SGI origin 2000 (96 processors R14000). It has  the compiler
version 7.41 (f14). It gives the error that I included below. 

I tried to compile it in an other SGI 2000 system with an older
compiler (Version It generated an executable which
works for almost all the examples except  the "computing the
electric field for G phonons as in example 2". 

AGain, any suggestions would be appreciated.

thanks in advance,


PS: Below is the details of the error that I got from
f90 version 7.41 in SGI Origin 2000 (R14000):

(1) SGI MIPSpro Fortran 90 Version 7.41 (f14)

MODULE neb_routines

f90-855 f90: ERROR NEB_ROUTINES, file=neb_routines.f90
line=10, Column=8, The compiler has detected errors in module
"NEB_ROUTINES". No module information file will be
created for this module.

    Do ia=1, nat
File=neb_routines.f90,Line=207, Column=23, "NAT" has
been use associated from module "BASIS" and at least
one more module. It must not be referenced.

Dr. Taner Yildirim, Ph.D. Physicist, Condensed Matter Science Group,     
taner at nist.gov                     NIST Center for Neutron Research, 
PHONE: 301-975-6228     National Institute of Standards & Technology
FAX  : 301-921-9847                      Gaithersburg, MD 20899-8562
Web  : http://webster.ncnr.nist.gov/staff/taner
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