recent commit removed an environ-related format. Recovering the old version


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10541 c92efa57-630b-4861-b058-cf58834340f0
moved the new format in the proper subroutine


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10542 c92efa57-630b-4861-b058-cf58834340f0
Calculation of exchange energy with USPP with Gamma tricks is now correct (or at least,
no more wrong than calculation without Gamma tricks). Vexx still wrong.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10543 c92efa57-630b-4861-b058-cf58834340f0
vexx also fixed, but there is a small discrepancy that persists


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10544 c92efa57-630b-4861-b058-cf58834340f0
Two minor fixes by Axel


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10545 c92efa57-630b-4861-b058-cf58834340f0
Added support for Scalapack compiled from netlib (which includes blacs
in the library file), and OpenBLAS.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10546 c92efa57-630b-4861-b058-cf58834340f0
Minor cleanup of parallel modules: several (but not all) instances of
"use mp_global" replaced by use of specific module


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10547 c92efa57-630b-4861-b058-cf58834340f0
Added code and examples by Axel for calling QE as a subroutine


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10548 c92efa57-630b-4861-b058-cf58834340f0
More mp_global replacements


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10549 c92efa57-630b-4861-b058-cf58834340f0
All references to world_comm removed: all parallelism in QE takes place 
inside a single communicator, passed at the very beginning of the calculation


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10550 c92efa57-630b-4861-b058-cf58834340f0
pw-export, now occupation consistent with pw_restart
assuming 0 unoccupied 1 occupiedZ


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10551 c92efa57-630b-4861-b058-cf58834340f0
More mp_global cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10552 c92efa57-630b-4861-b058-cf58834340f0
added two embrionary scripts for addson integration

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10553 c92efa57-630b-4861-b058-cf58834340f0
some cleaning of addson scripts

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10554 c92efa57-630b-4861-b058-cf58834340f0
Unmentained line for US eliminated.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10555 c92efa57-630b-4861-b058-cf58834340f0
New version from M. Marsili.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10556 c92efa57-630b-4861-b058-cf58834340f0
addson script now modify Makefiles. is working for Modules and flib. However the complex structure of PW/src/Makefile makes difficult to define a general rule. to be solved

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10557 c92efa57-630b-4861-b058-cf58834340f0
More cleanup of parallel modules: mp_global no longer contains references to
variables for the "world" MPI communicator. The latter are to be found in 
world_comm instead. mp_global should be used only to start and to end the
various parallelization levels. Many small but harmless changes: a few 
variables removed or moved to another module in most cases.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10558 c92efa57-630b-4861-b058-cf58834340f0
Compilation error in parallel execution. Note: please reduce #ifdef __MPI to
the strict minimum!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10559 c92efa57-630b-4861-b058-cf58834340f0
missing comma in format (harmless)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10560 c92efa57-630b-4861-b058-cf58834340f0