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

Filippo SPIGA filippo.spiga at quantum-espresso.org
Fri Sep 2 11:02:43 CEST 2016


Ciao Lorenzo,

can you send me the "install/config.log" file after running the configure?

Which version of GCC is installed in this machine?


On Sep 2, 2016, at 9:59 AM, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote:
> 
> 
> 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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--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org





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