00e98c759b
Update COUPLE examples for new laxlib
2020-02-25 17:33:21 +00:00
f56b70bfc9
Unset executable flag [ci skip]
2019-11-20 15:51:54 +09:00
7f238eb28e
updating MPI startup for COUPLE library
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thanks to Fabio Affinito and Mariella Ippolito from CINECA.
2019-10-02 18:13:07 +02:00
a929525d7b
No valid reason to re-defined IFLAGS inside Makefiles
2018-07-04 16:42:12 +02:00
9af0317f8d
Once again, a problem with modules in Makefiles. In order to simplify things,
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after the proliferarion of modules and libraries, I have collected into a
single variable BASEMOD_FLAGS, defined in make.inc, the list of directories
for modules, to be included by all codes. IMPORTANT NOTICE: re-run "configure",
the new Makefiles work in conjunction with the new make.inc
2018-01-08 22:28:48 +01:00
f2acaf16e5
Tests for COUPLE/ were not compiling either
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@14032 c92efa57-630b-4861-b058-cf58834340f0
2017-12-08 17:38:20 +00:00
f475c410f9
COUPLE wasn't compiling any longer
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@14031 c92efa57-630b-4861-b058-cf58834340f0
2017-12-08 15:18:04 +00:00
43f8062c8c
Final cleanup of check_stop machinery - only real change in the end:
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max_seconds is stored into module check_stop and no longer in input_parameters
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13774 c92efa57-630b-4861-b058-cf58834340f0
2017-08-25 09:51:34 +00:00
bf80dd9831
Minor changes to check_stop; max_seconds initialized in CP as in PW
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13768 c92efa57-630b-4861-b058-cf58834340f0
2017-08-24 19:49:34 +00:00
02ce4df8d6
make.sys => make.inc. All other codes using make.sys should modify their build
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mechanism accordingly.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12539 c92efa57-630b-4861-b058-cf58834340f0
2016-06-25 07:26:50 +00:00
00679a239d
- well, npt should stay there for backward compatibility!!
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12481 c92efa57-630b-4861-b058-cf58834340f0
2016-06-09 15:12:19 +00:00
afd0511c0b
- removing obsolete "npot" parallelization parameter
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12480 c92efa57-630b-4861-b058-cf58834340f0
2016-06-09 15:01:35 +00:00
a2bde3301c
Removal of unused "npot" parallelization had broken the interface for calling
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QE to external codes (my fault). Reverted to previous state (with npot present
but unused) so that the API are still valid. Makefiles updated. (Axel)
In the future, the API version in COUPLE/include/libqecouple.h must be
increased every time an incompatible change is made.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12476 c92efa57-630b-4861-b058-cf58834340f0
2016-06-08 05:43:00 +00:00
df30a665aa
Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to
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prevent trouble with OS-X. May or may not work (it won't unless configure
is updated: please somebody with v.2.63 of autoconf do it), may turn out to
be obsolete anyway.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12364 c92efa57-630b-4861-b058-cf58834340f0
2016-04-27 14:53:38 +00:00
17ba1e75d9
Obsolete reference to deleted variable removed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11918 c92efa57-630b-4861-b058-cf58834340f0
2015-12-21 12:50:36 +00:00
fdf7766648
- FFT Modules replaced by FFTXlib
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11857 c92efa57-630b-4861-b058-cf58834340f0
2015-11-21 10:37:48 +00:00
03d8985312
"pot" parallelization level, no longer used, is removed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11688 c92efa57-630b-4861-b058-cf58834340f0
2015-08-20 17:29:18 +00:00
7c01062ba0
Final (?) set of changes to the build system, especially for Windows (Axel)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10590 c92efa57-630b-4861-b058-cf58834340f0
2013-11-07 21:06:06 +00:00
6a37e64ae1
Added code and examples by Axel for calling QE as a subroutine
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10548 c92efa57-630b-4861-b058-cf58834340f0
2013-10-22 17:03:07 +00:00
Paolo Giannozzi