[Pw_forum] pw.x runtime error on ibm sp5

Garold Murdachaew murda at sissa.it
Thu Oct 25 16:04:21 CEST 2007

Dear Pwscf forum members,

I am having a runtime error in pw.x related to fft on the cineca sp5.  I 
am using the recommended essl library to supply the fft routines.  If someone 
could please give me some idea of how to resolve this problem, I would 
appreciate it.  Thank you.  The details are below.

Best regards,
Garold Murdachaew
Postdoctoral Fellow - Condensed Matter Sector
SISSA-ISAS (International School for Advanced Studies)
email : murda at sissa.it
New Building, Room 208
Via Beirut 2-4, 34014 Trieste, Italy
tel   : +39 040 3787 477
fax   : +39 040 3787 528


I downloaded the cvs version of espresso3.2.3.  pw.x works fine under 
linux.  I also configured and compiled without problems on the cineca sp5 

./configure BLAS_LIBS="-lessl" LAPACK_LIBS="-lessl -L/cineca/lib -llapack"

The result of configure was:

The following libraries have been found:
   LAPACK_LIBS=-lessl -L/cineca/lib -llapack
   MASS_LIBS= -lmassvp4 -lmass

(Note that I had used exactly the same settings to compile a trouble-free 
version of espresso3.0 some time ago.)

This was followed by "make all" and the compilation appeared to be 
trouble-free.  However, when I ran pw.x I there was an immediate crash 
with the error message:

      from  cft_1z  : error #         1
       no scalar fft driver specified

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