[Q-e-developers] configure in espresso 6 beta

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Sep 2 10:59:49 CEST 2016


Dear All,
I'm having some troubles woith the configure script in QE6, beta version 
(actually, SVN version from today)

When trying to configure with scalapack cupport the check for linking fortran 
code from C fails, for the following reason. The test code is this:
/* confdefs.h.  */
#define PACKAGE_NAME "ESPRESSO"
#define PACKAGE_TARNAME "espresso"
#define PACKAGE_VERSION "6.0-beta"
#define PACKAGE_STRING "ESPRESSO 6.0-beta"
#define PACKAGE_BUGREPORT ""
#define STDC_HEADERS 1 
#define HAVE_SYS_TYPES_H 1 
#define HAVE_SYS_STAT_H 1 
#define HAVE_STDLIB_H 1 
#define HAVE_STRING_H 1 
#define HAVE_MEMORY_H 1 
#define HAVE_STRINGS_H 1 
#define HAVE_INTTYPES_H 1 
#define HAVE_STDINT_H 1 
#define HAVE_UNISTD_H 1 
#define SIZEOF_INT_P 8 
#define HAVE_MALLINFO 1 
/* end confdefs.h.  */

#ifdef F77_DUMMY_MAIN

#  ifdef __cplusplus
     extern "C"
#  endif
   int F77_DUMMY_MAIN() { return 1; } 

#endif
int
main ()
{ 

  ; 
  return 0;
} 


Which is all right, but it is compiled with:
gcc -o conftest -g -O2   conftest.c   -lmkl_scalapack_lp64 -
lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -
lpthread -lm

Which tries to link it with all the mkl scalapack libraries, which fails. I 
have been able to proceed by setting CC=mpiicc (or similar for the gcc 
compiler)

But I'm wondering if it is a special issue of my configuration (the one used in 
the ADA supercomputer at IDRIS) or it is a problem with some recent tweak in 
the configure scripts.

cheers




-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05




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