Pietro Delugas
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250de3a856
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added ppc64le to guessed builds for fox config
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2018-07-19 09:18:16 +02:00 |
Pietro Delugas
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ffe8b94418
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fox lib modified to avoid a recent gfortran bug
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2018-04-26 18:00:44 +02:00 |
Pietro Delugas
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120a15a08d
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Fox init
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2018-02-26 14:11:13 +00:00 |
giannozz
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0da10183fe
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Patch by Jason Wood allowing FoX config.guess to recognize ARM
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13956 c92efa57-630b-4861-b058-cf58834340f0
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2017-10-25 16:17:36 +00:00 |
pietrodelugas
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12bd2b2f82
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in the previous commit I inserted by mistake the whole archive, here again the minimal small size version. Sorry
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13934 c92efa57-630b-4861-b058-cf58834340f0
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2017-10-18 18:21:29 +00:00 |
pietrodelugas
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d4230bea09
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update fox library hopefully fixing issues with ifort 12
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13933 c92efa57-630b-4861-b058-cf58834340f0
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2017-10-18 15:43:00 +00:00 |
pietrodelugas
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375f59988c
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hopefully fixed problem of the pgi compilers with the fox library
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13686 c92efa57-630b-4861-b058-cf58834340f0
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2017-08-04 12:05:09 +00:00 |
pietrodelugas
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2d1e77948a
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adding the FoX library to the archive and adding its compilation as external library
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13643 c92efa57-630b-4861-b058-cf58834340f0
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2017-07-28 20:01:07 +00:00 |
giannozz
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045178004e
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File iotk/include/iotk_auxmacros.h made rw-r--r--
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13302 c92efa57-630b-4861-b058-cf58834340f0
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2017-02-11 08:27:51 +00:00 |
spigafi
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08cb39e8b8
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ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added
"--with-elpa-include" and "--with-elpa-lib" to the configure, need to use
"-L<path> -l<lib>" and "-I<path>" for now.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13041 c92efa57-630b-4861-b058-cf58834340f0
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2016-09-29 22:13:41 +00:00 |
spigafi
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7f7807a958
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Netlib BLAS is part of Netlib LAPACK (same packaging). No point to keep two
separated targets. Configure option will reflect this as well. More cleaning
needed toward simplified makefiles
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12939 c92efa57-630b-4861-b058-cf58834340f0
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2016-09-09 14:27:10 +00:00 |
spigafi
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21a0e267b4
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Updated Netlib versions (BLAS to 3.6.0, LAPACK to 3.6.1).
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12929 c92efa57-630b-4861-b058-cf58834340f0
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2016-09-08 20:52:28 +00:00 |
giannozz
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3249871379
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make.sys updated to make.inc in ELPA as well
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12578 c92efa57-630b-4861-b058-cf58834340f0
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2016-07-08 16:22:14 +00:00 |
giannozz
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e272c36f3f
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make.sys => make.inc
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12541 c92efa57-630b-4861-b058-cf58834340f0
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2016-06-25 07:44:21 +00:00 |
marsamos
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a114d8b174
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qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11568 c92efa57-630b-4861-b058-cf58834340f0
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2015-06-11 13:51:00 +00:00 |
giannozz
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63d9be9b5b
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Obsolete preprocessing tag __PARA replaced by __MPI
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11357 c92efa57-630b-4861-b058-cf58834340f0
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2015-02-03 13:33:09 +00:00 |
giannozz
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c772a30bdb
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Remove tabulators from iotk
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10527 c92efa57-630b-4861-b058-cf58834340f0
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2013-10-10 14:44:18 +00:00 |
spigafi
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5cca6b6f6a
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Internal changes: combining phiGEMM profiling capabilities and ELPA it is possible to profile internal GEMM calls.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9743 c92efa57-630b-4861-b058-cf58834340f0
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2013-01-02 10:07:47 +00:00 |
spigafi
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ef49e2a4ed
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ELPA now compiles on CRAY using GNU.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9695 c92efa57-630b-4861-b058-cf58834340f0
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2012-12-11 14:41:01 +00:00 |
marsamos
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80f29cdd85
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new plumed version added
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9640 c92efa57-630b-4861-b058-cf58834340f0
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2012-11-21 14:48:16 +00:00 |
spigafi
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0faf131fe7
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Regenerated package...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9566 c92efa57-630b-4861-b058-cf58834340f0
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2012-10-23 20:17:28 +00:00 |
spigafi
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fb8e2c8d84
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ELPA v0.2: temporary disabled OpenMP extensions since they were producing crashes on Linux machines, added COPYING/License informations, improved configure (if --without-elpa then the library is not compiled at all).
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9564 c92efa57-630b-4861-b058-cf58834340f0
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2012-10-23 11:30:37 +00:00 |
spigafi
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b2b24dd848
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ELPA library is completely detached from the main code, compiled as external library provided under ./archive/
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9559 c92efa57-630b-4861-b058-cf58834340f0
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2012-10-20 14:56:34 +00:00 |
marsamos
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44ec45bf04
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extlibs deleted moved to archive and main install
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8377 c92efa57-630b-4861-b058-cf58834340f0
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2012-01-03 11:33:44 +00:00 |
marsamos
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fb7b8b322f
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plugins latest for yambo and w90 and want deleted from archive. Now download from web sites. Updated yambo version
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8376 c92efa57-630b-4861-b058-cf58834340f0
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2012-01-03 10:42:35 +00:00 |
marsamos
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57987ccba3
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now plumed output with cp uses same units as pw a.u for distances
Ry for energies
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7600 c92efa57-630b-4861-b058-cf58834340f0
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2011-03-23 16:12:21 +00:00 |
marsamos
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7809965f87
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change outdir with tmp_dir in plugin_initialization for plumed plugin
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7571 c92efa57-630b-4861-b058-cf58834340f0
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2011-03-11 15:08:19 +00:00 |
marsamos
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9790ef3df4
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PLUMED synchro with cvs CP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7565 c92efa57-630b-4861-b058-cf58834340f0
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2011-03-10 17:13:32 +00:00 |
marsamos
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b3174e2822
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missing mp_bcast in patch to plugin_forces for PW
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7400 c92efa57-630b-4861-b058-cf58834340f0
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2011-01-12 11:16:41 +00:00 |
marsamos
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ccb148ca3d
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modified plumed-latest.tar.gz
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7277 c92efa57-630b-4861-b058-cf58834340f0
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2010-12-02 13:49:16 +00:00 |
marsamos
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437351fb2a
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PLUMED-latest.tar.gz add to archive
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7267 c92efa57-630b-4861-b058-cf58834340f0
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2010-11-29 17:03:13 +00:00 |
marsamos
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3aed9991e4
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Added README file to archive
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7244 c92efa57-630b-4861-b058-cf58834340f0
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2010-11-23 11:52:45 +00:00 |
marsamos
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f78465c84f
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added yambo-latest.tar.gz to archive
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7243 c92efa57-630b-4861-b058-cf58834340f0
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2010-11-23 11:49:12 +00:00 |
marsamos
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f0e62894b0
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added want-latest.tar.gz to archive
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7242 c92efa57-630b-4861-b058-cf58834340f0
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2010-11-23 11:48:00 +00:00 |
marsamos
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f93d2a758d
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add wannier90-latest.tar.gz to archive
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7241 c92efa57-630b-4861-b058-cf58834340f0
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2010-11-23 11:39:19 +00:00 |