[Pw_forum] A strange problem during testing the examples

Chaohao Hu chaohao.mse at gmail.com
Wed Oct 3 17:13:39 CEST 2007

Dear Pwscf users,

During testing the examples of espresso32, I encounter a strange problem.
For example01, when I run the test on example01 using the excutable files
compiled by ifort + icc (or gcc), the calculations seem to be stopped once
the information as  "running the symmetry analysis for Si bands..."
appears.  For example02, the Gamma-point phonon calculations is also
stopped. But using the binary files produced by G95 compiler, all examples
run very well. Maybe some compiling optitions should be modified. For ifort
+ icc, I just configure the enviroment like "  ./configure F90=ifort
F77=ifort FFLAGS="-O2 -assume byterecl" CC=icc CFLAGS=-O3 LDFLAGS=-static".
Any hint is appreciated! The version of fortran compiler I used is intel90
or intel91.

Best regards,
C.H. Hu
C.H. Hu
Postdoctoral fellow
Chimie et Physico-Chimie appliquees
Institut Francais du Petrole (IFP)
Rueil-Malmaison, France
E_mail: chaohao.mse at gmail.com
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