- Aug 03, 2015
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
wrong path for uninstall
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Giovanni Bussi authored
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Giovanni Bussi authored
Fixes #157
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Giovanni Bussi authored
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- Jul 31, 2015
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Giovanni Bussi authored
Clarification on one option that does not work on BG/Q
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- Jul 30, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Lattice reduction is used in plumed to convert box to its "least skewed" form. I changed a bit the threashold since it was giving problems with high optimization flags. Additionally, I added some warning when too many iterations are performed (which indicates a numerical issue)
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Giovanni Bussi authored
Conflicts: regtest/multicolvar/rt21/derivatives.reference regtest/multicolvar/rt21/plumed.dat
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Giovanni Bussi authored
reduced precision to make them work with stronger optimizations
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Giovanni Bussi authored
* added comments on install paths at the end of ./configure * fixed include path in modulefile * make obj/kernel.o only when necessary
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- Jul 29, 2015
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Giovanni Bussi authored
Now configure properly takes into account paths such as --bindir=/path etc This implementation hardcodes all the path into the src/config/ConfigInstall.cpp file. I followed the instructions on autoconf documentation so that the paths can be changed at install time using e.g. make install prefix=/path bindir=/path/binxx This should be the standard behavior. I removed the possibility to use PLUMED_SUFFIX and PLUMED_LIBPREFIX since it was a bit too difficult to maintain. I significantly simplified the src/lib/Makefile by using the standard directory names for autoconf.
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Giovanni Bussi authored
Instead of replicating the whole tree upon install, now objects are copied to prefix/lib/plumed/obj and assigned a number. When possible, objects are grouped in a single kernel.o with ld -r (tested in configure). This saves a lot of disk space. I also removed from the install directory some other useless files. The Plumed.inc/cmake files when installing are generated in a different way from the ones used prior to installation. Thus, to avoid too many repetitions, I wrote a small awk script the transforms Plumed.inc to Plumed.make
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Giovanni Bussi authored
Now when plumed is installed the scripts are placed in lib/plumed/ instead of bin/ This makes it more robust the installation of several versions with suffixes I only left in place the script "plumed-patch" which is likely the most used. I added plenty of messages at the end of ./configure and make install + I explained it in the user doc
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
It seems that sometime on travis a regtest with mw-mpi crashes. I think this is because when using multiple processors per walker there is a problem in the opening of the old file (for read) and its backup (for write). Adding this barrier seems to make it more robust
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Giovanni Bussi authored
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- Jul 28, 2015
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Giovanni Bussi authored
Properly instantiate templates when using high optimization flags with gcc
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- Jul 24, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
Get_count() should return the number of element only when used on a Recv status. In this regtests we were probing the value of a Isend status. Likely openmpi sets it anyway as the number of sent element, but this makes mpich2 fail the regtest. I thus removed the check.
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Giovanni Bussi authored
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Giovanni Bussi authored
It seems in 865d16c9 I introduced a bug: checks where reported to travis only when building doc. Fixed now
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- Jul 23, 2015
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Giovanni Bussi authored
[makedoc]
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- Jul 22, 2015
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Giovanni Bussi authored
this is required to avoid name clashes
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Giovanni Bussi authored
Now command line shortcuts such as plumed-patch follow the same rule as plumed executable to set PLUMED_ROOT as it was implemented in 1b20cb90 Namely, they have an hard coded value that can be replaced setting the PLUMED_ROOT variable before launching the tool
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- Jul 21, 2015
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Giovanni Bussi authored
Sometime there was problem with inconsistent on/off files. Now: whenever all/none/reset is found, all on/off files are removed. whenever one module is enabled, on file is added and off file is removed the opposite when it is disabled this should enforce consistency of on/off files.
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- Jul 20, 2015
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Giovanni Bussi authored
Conflicts: src/maketools/update-plumedroot.sh user-doc/Installation.txt
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Giovanni Bussi authored
Using "_" instead of "-" to avoid clashes. Actually, the problem was that doing make install PLUMED_SUFFIX=2 make install The second install would have canceled the executables installed by the first install. This is because install assumes names such as plumed-* to be scripts installed for cross compiling
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- Jul 19, 2015
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Giovanni Bussi authored
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- Jul 17, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
There was an error in passing masses from NAMD to PLUMED. Found by Glen Hocky. Fixes #162
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- Jul 07, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
Now plumed should work if built on a directory which has a space in the path. Notice that install directory should still not contain spaces. This is because of some difficulties in making the src/lib/Makefile rules compatible with names with spaces. Addresses #157
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Giovanni Bussi authored
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Giovanni Bussi authored
to doxygen 1.8.7
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