[Pw_forum] (solved) Error in phonon calculation and duringtests also?

Huiqun Zhou hqzhou at nju.edu.cn
Mon Nov 22 06:34:10 CET 2010


It's not nessarilly a problem of Intel compiler. I'm using Intel Compiler 11.1
064 and 072 on two different clusters and no problem occurred in compiling
qe-espresso.

You can try to clean your build and remove the folder S3DE, then compile 
again.

zhou huiqun
@earth sciences, nanjing university, china

  ----- Original Message ----- 
  From: sonu kumar 
  To: pw_forum at pwscf.org 
  Sent: Saturday, November 20, 2010 9:22 PM
  Subject: Re: [Pw_forum] (solved) Error in phonon calculation and duringtests also?


  Respected Prof. Paolo Giannozzi, Lorenzo Paulatto, Ali Tavana and all QE users,

  Thank you very much for your help.

  Problem is solved with gfortran compiler ( gcc version 4.4.1 ). 
  All the tests and phonon calculations are working fine.


  >did you pay real money for your compiler? complain with Intel.
  >If not, try a different compiler (or a different version of the
  >same compiler)

  I used latest non-commercial version of intel fortran compiler.
  Will try to check with other intel compilers.


  >About one year ago I met a very similar problem with the sun compiler.
  >After a long debugging session I was able to track it to a specific
  >compiler bug: loop counter was not incremented at loop exit (for
  >sufficiently complicated loops). Reducing optimization to 1 for compiling
  >iotk solved the problem.

  will try with -O1 flag.


  Sonu Kumar

  Phd Student
  Physics Department
  Indian Institute of Technology 
  Delhi-110016, India
  web:-http://www.iitd.ac.in/



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