- to avoid unneeded dependencies: currently each and every code that initializes mpi depends upon LAXlib,
including those that never diagonalize a matrix (e.g., ld1.x). This is completely ridiculous.
- to be free to choose the parallelization of linear algebra after data is read and metabolized.
It used to be done like that some time ago, by the way.
IMPORTANT NOTICE: all codes that use parallelization of linear algebra MUST explicitly call mp_start_diag.
Currently this is done by: cp.x, pw.x, neb.x, ph.x, projwfc.x. All other codes cannot currently use linear
algebra parallelization (linear algebra will run on 1 processor).
(it was inside read_upf, now it has to be called explicitly after read_upf fails). The rationale is to
disentangle PP reading from parallelism (now parallelism is hidden deep inside PP reading), eventually
moving all utilities for reading and convering PP's into a single, "almost stand-alone" library.
uneeded relinking; the mysterious "tldeps" machinery modified accordingly;
added explicit dependencies to GWW targets to prevent (once again) problems
with make -j (seems to work now). make.depend updated (once again).
impossible clashes with LIBS as defined by the OS or as used by the configure's
of external libraries (e.g. FoX, for which one such problem has been reported)
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
basic operations: error handling, timing clocks, interfaces to basic mpi
calls, find free units...
These routines are moved from Modules and dependencies to other modules
are removed.
MANY files are updated to comply with the move.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13629 c92efa57-630b-4861-b058-cf58834340f0
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
the format, sometimes outside as an option to WRITE. Older compilers do not
seem to like the latter. I have aligned all occurrences to the latter case,
taht is, outside the format.
NOTE: with PRINT, advance="no" can only be inside formats. I think it is time
to get read of the PRINT statement andreplace them with WRITE.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11762 c92efa57-630b-4861-b058-cf58834340f0
being, provided more "as is" than usual (no compilation and very little
documentation). Contributed by Santanu Saha and Stefan Goedecker
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11585 c92efa57-630b-4861-b058-cf58834340f0
giannozz