[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
Details:
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
using:
./configure BLAS_LIBS="-lessl" LAPACK_LIBS="-lessl -L/cineca/lib -llapack"
The result of configure was:
The following libraries have been found:
BLAS_LIBS=-lessl
LAPACK_LIBS=-lessl -L/cineca/lib -llapack
FFT_LIBS=-lessl
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
More information about the users
mailing list