581e56d3ec
Two instances of the same variable in efg.f90 (found by Antonio Tilocca)
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Cleanup, doc, workaround for yet another ifc8 bug, no more #ifdef ZHEGVX
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@722 c92efa57-630b-4861-b058-cf58834340f0
2004-03-15 10:07:07 +00:00
c782b18fe1
Fixed an error in the call to mp_bcast (the correct communicator was missing).
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Explicit referencces to MPI_barrier replaced with calls to mp_barrier.
Some cleanup.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@705 c92efa57-630b-4861-b058-cf58834340f0
2004-03-08 15:30:40 +00:00
7802c6c40c
Calls to broadcast replaced by calls to mp_bcast everywhere.
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All kinds ionic dynamics are done by a single cpu (see move_ions.f90).
After the ions are moved the new positions (and other information) are
broadcasted to all other cpus.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@701 c92efa57-630b-4861-b058-cf58834340f0
2004-03-07 17:18:22 +00:00
0b1a5c9fd8
Extensive module cleanup: DP moved from wrong place (parameters) to the
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correct place (kinds); module "varie" replaced by "control_flags" (not
yet in pwcom, though) - many many files changed.
64-bit cpus (Opteron, maybe Itanium) should now work if __LINUX64 is defined
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@513 c92efa57-630b-4861-b058-cf58834340f0
2004-01-23 15:08:03 +00:00
7ab84cd1a0
bug fix, or most likely compiler bug workaround,
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for IBM xlf 8.1.0.3
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@234 c92efa57-630b-4861-b058-cf58834340f0
2003-06-12 21:32:44 +00:00
60118d413e
cdiaghg: error => errore
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@108 c92efa57-630b-4861-b058-cf58834340f0
2003-03-03 11:38:48 +00:00
5542a00340
Misc. installation and doc fixes
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T3D, T3E, __CRAY => __T3E ; PC => __LINUX
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@99 c92efa57-630b-4861-b058-cf58834340f0
2003-02-27 13:59:04 +00:00
9e3a2de758
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
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bug in io_base fixed
PARA => __PARA
cinterpolate moved into interpolate
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@86 c92efa57-630b-4861-b058-cf58834340f0
2003-02-21 14:57:00 +00:00
d852392cab
module allocate, calls to mallocate, mfree removed
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pointers replaced by allocatable whenever possible
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@56 c92efa57-630b-4861-b058-cf58834340f0
2003-02-07 16:04:36 +00:00
ac9f2144c0
O-sesame
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
2003-01-19 21:58:50 +00:00
giannozz