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239 Commits

Author SHA1 Message Date
nn245 4e0a959e10 Search for MKL blacs&scalapack (needs further testing!) (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6944 c92efa57-630b-4861-b058-cf58834340f0
 2010-08-02 10:13:36 +00:00
nn245 52df726c60 Correct comment in configure.ac (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6943 c92efa57-630b-4861-b058-cf58834340f0
 2010-08-02 10:13:27 +00:00
giannozz 0fd926309a In previous commit, a linker option was missing 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6894 c92efa57-630b-4861-b058-cf58834340f0
 2010-07-09 08:29:21 +00:00
giannozz 60c56264af configure updated to recognize MASS libs on BG machines 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6893 c92efa57-630b-4861-b058-cf58834340f0
 2010-07-09 08:02:47 +00:00
giannozz a49a489c85 Minor fixes for BG: better (?) check, on existence of /bgsys filesystem; 
use __ESSL instead on __LINUX_ESSL (not the good choice, at least in Julich)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6887 c92efa57-630b-4861-b058-cf58834340f0
 2010-07-06 17:02:54 +00:00
nn245 85f7d657d0 add -vec-report0 and -par-report0 to ifort compiler options to reduce pointless output (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6864 c92efa57-630b-4861-b058-cf58834340f0
 2010-06-25 11:26:45 +00:00
giannozz 5820eb34da Yet another configure glitch with openmp 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6807 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-29 13:15:04 +00:00
giannozz 356a1e73af Missing option in LDFLAGS for BG SMP 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6806 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-29 10:59:34 +00:00
giannozz b6317b7e5a Missing space before and after "=" in "test" 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6805 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-29 10:12:38 +00:00
giannozz cc81b1665d configure updated for MPI+OpenMP on BlueGene - may or may not work. Use as 
./configure ARCH=ppc64-bg --enable-openmp


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6802 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-28 19:59:51 +00:00
giannozz 41c8c89044 Oops...one missing space and all machines are BlueGene 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6781 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-21 08:49:42 +00:00
giannozz aa3c1b6356 BG configure glitch (use essl instead of fftw) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6780 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-20 13:43:48 +00:00
giannozz 72c33e160b First attempt of configure for BlueGene - likely working only for the 
Julich machine. In other places, try "./configure ARCH=ppc64-bg BLAS_LIBS=...
LAPACK_LIBS=... SCALAPACK_DIR=... BLACS_DIR=..."


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6778 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-20 13:02:28 +00:00
obm 8082e1d8ff Mac Os X 10.6 related info&touches 
!Warning: 64 bit support of intel compilers in Mac Os X 10.6.3 is buggy as of
11.1.088, any double complex on-the-fly constant passed to a subroutine i.e.
(1.d0,0.d0), is registered as a crazily small number.

!Warning: Trying to compile 64 bit using intel compilers 11.1.084 and below
results in very hard to debug errors, any on the fly double complex constant
overflows to a very small number leading to NaNs and unexpected zeroes everywhere

Intel compilers <11.067 are not supported under MacOs 10.6 (Linking Registers fail)

Be sure to use ranlib in compatibility mode


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6771 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-15 23:43:19 +00:00
giannozz 4a40332d1a No reason to have two different ways to detect mkl 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6768 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-14 13:12:54 +00:00
nn245 304e2541d5 Revert "configure: check for fftw (not fftw3)" (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6757 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-11 15:49:46 +00:00
nn245 ef33d7352e install/configure: improvements for crayxt (arch=crayxt is now autodetected) (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6753 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 17:34:46 +00:00
nn245 0cef31c889 install/configure.ac: use AC_PROG_FC rather than the old AC_PROC_F77 (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6752 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 17:34:36 +00:00
nn245 4c4841c5bc install/configure.ac: fix indentation (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6751 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 17:34:26 +00:00
nn245 d16365b2aa configure: check for fftw (not fftw3) (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6750 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 16:01:30 +00:00
nn245 36c741a6b8 Check for libraries blas-3/lapack-3 before blas/lapack (default on Debian/Ubuntu). (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6749 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 16:01:21 +00:00
nn245 e5bfde5be5 Add correct detection of pathscale mpif90 (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6748 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 16:01:03 +00:00
nn245 818e1be2a3 install/configure(.ac)?: normalize whitespace (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6747 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-10 16:00:47 +00:00
obm f0ec0671e9 Small touches for easier compilation in MACOS X 10.6 
This one enables compilation of pw using macports g95 gcc and apple libtool
I still have to test if the compilation was proper.

MacOs X 10.6 is an esoteric operating system, especially how the '64 bit' is
handled. Any help on the matter is really appreciated

1) g95 from macports complain that beta in exx.f90 is not an integer. I did not
 see any reason why it was not an integer either. Please verify

2) apple suplied ranlib has some 'touches' related to 'universal' libraries
which mix 64 bit 32 bit and ppc all together, this results in lost symbols
in some cases (sadly Q-E is one such case). Details at
http://osdir.com/ml/gnu.libtool.general/2002-07/msg00045.html
modifying configure.ac such that in mac pcs ranlib is run in compatibility mode

The next patch will be about MKL. At least in the trial version, MKL is supplied
with ifort by default, however configure does not look for it. I will check
if it is due to some esoteric behaviour, otherwise enable it.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6692 c92efa57-630b-4861-b058-cf58834340f0
 2010-05-02 06:25:01 +00:00
marsamos 8abea0f6c4 added AC_SUBST for topdir 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6584 c92efa57-630b-4861-b058-cf58834340f0
 2010-04-01 08:25:26 +00:00
ferretti 8ddad778e4 -fast option added to LDFLAGS when using sun studio. This is to avoid missing libraries 
due to a symbol name mismatch (__sincos).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6512 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-18 16:08:51 +00:00
giannozz 134cc39ef6 Cleanup of configure: removed several obsolete cases. Documentation 
updated accordingly, removed old stuff.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6508 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-17 17:07:05 +00:00
giannozz a52eb0f295 Sun compiler name unified to sunf95 for both Solaris and Linux 
(please verify)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6504 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-17 07:48:18 +00:00
giannozz e9b112ea4e "--with-scalapack" should be the default, as stated in the documentation 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6491 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-16 09:42:50 +00:00
giannozz f0847d5054 Fixed problem on sp6: --with-scalapack + no scalapack = bogus library found 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6476 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-09 09:26:08 +00:00
nn245 65ef38ae30 Fix error in configure -- affected compilers without CPP (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6462 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-02 15:01:07 +00:00
nn245 fadb0f945a Add -g flag to gfortran to include debugging symbols for better backtrace information (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6461 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-02 15:00:54 +00:00
giannozz 30026538c5 Added "-Mcache_align" for portland (Filippo Spiga) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6458 c92efa57-630b-4861-b058-cf58834340f0
 2010-03-01 21:12:00 +00:00
giannozz 3f297f87a9 Minor addition to installation system: makefile for cray-xt4 with openmp, 
configure updtae for openmp (Filippo Spiga), added possibility to pass
LD_LIBS to configure (Henning Glawe)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6452 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-25 20:29:47 +00:00
marsamos 148e49c59b bug fixed for ibm essl 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6437 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-18 10:43:48 +00:00
giannozz e31d6fabfd Workaround for PGI and Cray compilers that get confused by f77 files in 
Multigrid/: optimization for f77 files lowered from -fast to -O3
(courtesy of Filippo Spiga)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6414 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-15 18:34:26 +00:00
nn245 8daa9b3256 Add traceback for ifort compilation (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6412 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-15 12:31:32 +00:00
nn245 b77ad91ac2 sunf90: fix -M compiler flag (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6374 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-09 15:16:14 +00:00
nn245 fec0711674 sunf90: correct -fpp option (N. Nemec) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6372 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-09 15:15:57 +00:00
giannozz 4934b395ba Added signal processing by RdM. Disabled by default, enabled by option 
-D__TRAP_SIGUSR1 or using "./configure --enable-signals"


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6370 c92efa57-630b-4861-b058-cf58834340f0
 2010-02-08 19:25:34 +00:00
nn245 6e9aae1fcb Correctly detect gfortran in mpif90 call 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6320 c92efa57-630b-4861-b058-cf58834340f0
 2010-01-27 17:01:47 +00:00
nn245 ffc1fe51e7 Enable Sun Fortran on ia32 and x86_64 architectures 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6319 c92efa57-630b-4861-b058-cf58834340f0
 2010-01-27 17:00:47 +00:00
giannozz 197f6e7964 Configure cleanup and simplification. The unthreaded verison of MKL is 
now linked by default. Should work with recent versions of MKL as well.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6251 c92efa57-630b-4861-b058-cf58834340f0
 2009-12-15 12:35:55 +00:00
giannozz 2d451be769 Support for intel compilers v.7 and earlier (ifc) removed 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6246 c92efa57-630b-4861-b058-cf58834340f0
 2009-12-12 15:10:15 +00:00
giannozz c72f01195d Minor changes to increase clarity (or decrease obscurity) of configure 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6244 c92efa57-630b-4861-b058-cf58834340f0
 2009-12-12 11:16:36 +00:00
giannozz 6a1776186d Minor update for ifort: -i-static is deprecated and replaced by -static-intel 
since ifort v.10


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6241 c92efa57-630b-4861-b058-cf58834340f0
 2009-12-11 17:18:35 +00:00
giannozz e6d0b17d59 Debug message had been left in configure 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6117 c92efa57-630b-4861-b058-cf58834340f0
 2009-11-08 17:28:39 +00:00
obm 4666a4efea Some minor changes to configure environment: 
1)New wrapper for configure script now also outputs the help of install/configure when called with --help
2)A quick and dirty trick to make configure recognise MKL 10.x series in ia32 and x86_64 machines. Although
I have tested this on every machine I have my hands upon, would you be kind enough to check this more
throughly? Please note that some features of MKL 10 is not supported in MACOSX.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6104 c92efa57-630b-4861-b058-cf58834340f0
 2009-11-04 14:58:01 +00:00
marsamos 40cb97cd29 some logical problems in configure for lapack and blas 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6063 c92efa57-630b-4861-b058-cf58834340f0
 2009-10-21 07:15:47 +00:00
marsamos bd2f139c2b some inconsistencies in configure for use of essl solved. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6044 c92efa57-630b-4861-b058-cf58834340f0
 2009-10-19 16:34:06 +00:00