Commit c7c019b4 by Francois Gygi

rel1_15_2


git-svn-id: http://qboxcode.org/svn/qb/trunk@233 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 4ba228aa
#-------------------------------------------------------------------------------
#
# fpmd.mk
#
#-------------------------------------------------------------------------------
# $Id: fpmd.mk,v 1.1 2004-05-20 00:26:18 fgygi Exp $
#
PLT=LINUX
#-------------------------------------------------------------------------------
GCCDIR=/usr/apps/gcc/3.3.2
MPIDIR=/usr/apps/mpich/1.2.5
XERCESCDIR=/home/fgygi/software/xml/xerces-c-${PLT}
CXX=icc
LD=$(CXX)
PLTFLAGS += -DUSE_FFTW -DUSE_CSTDIO_LFS -D_LARGEFILE_SOURCE \
-D_FILE_OFFSET_BITS=64 -DUSE_MPI -DSCALAPACK -DADD_ \
-DAPP_NO_THREADS -DXML_USE_NO_THREADS
FFTWDIR=$(HOME)/fftw/linux-pc-fpmd/fftw-2.1.3/fftw
BLASDIR=/usr/lib
INCLUDE = -I$(MPIDIR)/include -I$(FFTWDIR) -I$(XERCESCDIR)/include
CXXFLAGS= -O3 -tpp6 -xW -Zp16 \
-D$(PLT) $(INCLUDE) $(PLTFLAGS) $(DFLAGS)
LIBPATH = -L$(FFTWDIR) -L/usr/X11R6/lib \
-L$(MPIDIR)/lib -L $(BLASDIR) -L $(GCCDIR)/lib -L$(XERCESCDIR)/lib
LIBS = $(PLIBS) -lfftw -llapack -lblas -lm -lmpich -lpmpich -lmpich \
-lg2c -lxerces-c
LDFLAGS = $(LIBPATH) $(LIBS)
# Blacs libraries
BLACSDBGLVL = 0
BLACSdir = /home/casc/repository/fpmd/software/BLACS/LIB
BLACSFINIT = $(BLACSdir)/blacsF77init_MPI-$(PLT)-$(BLACSDBGLVL).a
BLACSCINIT = $(BLACSdir)/blacsCinit_MPI-$(PLT)-$(BLACSDBGLVL).a
BLACSLIB = $(BLACSdir)/blacs_MPI-$(PLT)-$(BLACSDBGLVL).a
CBLACSLIB = $(BLACSCINIT) $(BLACSLIB) $(BLACSCINIT)
FBLACSLIB = $(BLACSFINIT) $(BLACSLIB) $(BLACSFINIT)
# Scalapack libraries
SCALAPACK_DIR = /home/casc/repository/fpmd/lib
PBLASLIB = $(SCALAPACK_DIR)/pblas_$(PLT).a
SCALAPACKLIB = $(SCALAPACK_DIR)/scalapack_$(PLT).a
TOOLSLIB = $(SCALAPACK_DIR)/tools_$(PLT).a
REDISTLIB = $(SCALAPACK_DIR)/redist_$(PLT).a
LAPACKLIB = -llapack
BLASLIB = -lblas
# Parallel libraries
PLIBS = $(SCALAPACKLIB) $(PBLASLIB) $(TOOLSLIB) $(REDISTLIB) $(CBLACSLIB)
#-------------------------------------------------------------------------------
......@@ -52,9 +52,21 @@ Mon May 3 16:34:49 PDT 2004
xlC 6.0 is broken when using the -D_LARGE_FILES macro. Reverted to
USE_CSTDIO_LFS for large file support as on mcr.
--------------------------------------------------------------------------------
rel1_15_2
Ecut.h: exit without any action if ecut is same as current value. Caused
zeroing of the wavefunction velocity when used in a redundant manner.
Added isodate.C/isodate.h and release.C/release.h files for separate access
to these functions from any other object.
Added a <description> tag in the sample file in SaveCmd.C including the ISO
date and the release of qbox that was used to create the file.
(Note: the tag was already allowed by the Schema specification, but the
save command did not write any description information.)
--------------------------------------------------------------------------------
rel1_15_1
Fixed bug: stop on assert in NonLocalPotential for l=1 or l=2 projectors
Fixed bug: Matrix::init_size() with zero dimensions.
Known bugs:
-wf_diag variable is ignored.
--------------------------------------------------------------------------------
rel1_15_0
Added R option for the cell_lock variable: rescale unit cell only (keep aspect
......
......@@ -3,10 +3,10 @@
// release.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: release.C,v 1.1 2004-05-20 00:22:20 fgygi Exp $
// $Id: release.C,v 1.2 2004-05-20 00:28:02 fgygi Exp $
#include "release.h"
std::string release(void)
{
return std::string("1.15.2e");
return std::string("1.15.2");
}
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment