Commit 02ce4df8 authored by giannozz's avatar giannozz

make.sys => make.inc. All other codes using make.sys should modify their build

mechanism accordingly.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12539 c92efa57-630b-4861-b058-cf58834340f0
parent f2812ffd
# Makefile for COUPLE
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for library coupling interface
include ../../make.sys
include ../../make.inc
# FLAGS for OpenMPI when QE was compiled with GNU Fortran 4.x
MPICXX=mpicxx
......
# Makefile for library coupling interface
include ../../make.sys
include ../../make.inc
# FLAGS for OpenMPI when QE was compiled with Intel Fortran 13.x
MPICXX=mpiicpc
......
# Makefile for library coupling interface
include ../../make.sys
include ../../make.inc
# location of required modules and include files
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG)../../FFTXlib $(MOD_FLAG)../../CPV/src
......
# Makefile for CPV
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for CP/FPMD
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../FFTXlib $(MOD_FLAG)../../LAXlib $(MOD_FLAG)../../Modules $(MOD_FLAG).
......
......@@ -16,7 +16,7 @@
\def\configure{\texttt{configure}}
\def\configurac{\texttt{configure.ac}}
\def\autoconf{\texttt{autoconf}}
\def\make.sys{\texttt{make.sys}}
\def\make.inc{\texttt{make.inc}}
\def\Makefile{\texttt{Makefile}}
\def\qeImage{quantum_espresso.pdf}
......@@ -477,7 +477,7 @@ libraries, installation utilities, general documentation.
Common files and directories in the \texttt{espresso/} directory are:
\begin{verbatim}
install/ configure
include/ make.sys
include/ make.inc
archive/ Makefile
dev-tools/ License
pseudo/ README
......@@ -491,7 +491,7 @@ obvious, the other files and directories are related to
\begin{itemize}
\item {\em Installation} (i.e. compilation and linking):\\
\texttt{install/}, \texttt{dev-tools/}, \texttt{archive/},
\configure, \make.sys
\configure, \make.inc
\item {\em Testing} (running tests and examples):\\
\texttt{pseudo/}, \texttt{environment\_variables}
\item {\em General documentation} (not package-specific):
......@@ -534,7 +534,7 @@ Let us review the files related to compilation and linking:
\item[--] \texttt{install/}: documentation and utilities for compilation
and linking
\item[--] \configure: wrapper for \texttt{install/configure} script
\item[--] \make.sys: produced by \texttt{configure}, contains
\item[--] \make.inc: produced by \texttt{configure}, contains
machine-specific compilation and linking options
\item[--] \Makefile: contains dependencies and targets used by
command \texttt{make}.
......@@ -542,7 +542,7 @@ command \texttt{make}.
pre-processed.
\end{itemize}
\texttt{./configure} {\em options} cleans executbales,
runs \texttt{install/configure}, produces file \make.sys.
runs \texttt{install/configure}, produces file \make.inc.
See Sec.\ref{SubSec:conf} for some details on how to change the
behavior of \configure.
......@@ -558,9 +558,9 @@ in each source directory. These files {\em must be updated} if you change
the sources, running script \texttt{install/makedeps.sh} or using command
\texttt{make depend}.
\paragraph{make.sys}
\paragraph{make.inc}
This file is produced by \configure\ using the template in
\texttt{install/make.sys.in} and contains all system-specific
\texttt{install/make.inc.in} and contains all system-specific
information on
\begin{itemize}
\item C and Fortran compilers name, pre-processing and compilation options
......@@ -569,18 +569,18 @@ information on
\item available optimized mathematical libraries, libraries to be downloaded
\item Miscellanous stuff
\end{itemize}
The \make.sys\ file is included into all \Makefile's,
The \make.inc\ file is included into all \Makefile's,
using the corresponding syntax. The best documentation for the
\make.sys\ file is the file itself. Note that if you want to
\make.inc\ file is the file itself. Note that if you want to
change something or to add more documentation into this file,
you may need to modify the template file \texttt{install/make.sys.in}.
you may need to modify the template file \texttt{install/make.inc.in}.
\paragraph{Makefile}
The top-level \Makefile\ contains the instructions to download,
unpack, compile and link what is required. Sample contents
(comments in italic):
\begin{verbatim}
include make.sys
include make.inc
\end{verbatim}
{\em Contains machine- and \qe-specific definitions}
\begin{verbatim}
......@@ -614,7 +614,7 @@ libblas : touch-dummy
cd install ; $(MAKE) -f extlibs_makefile $@
\end{verbatim}
{\em Target {\tt libblas}: this is an external library, that may or may
not be needed, depending upon what is written in {\tt make.sys}. If
not be needed, depending upon what is written in {\tt make.inc}. If
needed, go into directory {\tt install/} where {\tt make libblas} using
{\tt extlibs\_makefile} as Makefile will check if BLAS are there, download
from the network if not,
......@@ -624,7 +624,7 @@ compile and build the library}
Second-level \Makefile\ contains only targets related to a given
subdirectory or package. Sample contents:
\begin{verbatim}
sinclude ../make.sys
sinclude ../make.inc
default : all
all: pw pwtools
pw:
......@@ -647,7 +647,7 @@ The most important and most complex Makefile is the one in the
source directory. It is also the one you need to modify if you
add something.
\begin{verbatim}
include ../../make.sys
include ../../make.inc
\end{verbatim}
{\em Contains machine- and \qe-specific definitions}
\begin{verbatim}
......@@ -655,7 +655,7 @@ MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG).\
$(MOD_FLAG)../../FFTXlib $(MOD_FLAG)../../LAXlib
\end{verbatim}
{\em Location of needed modules; {\rm \texttt{MOD\_FLAG}} is defined in
\texttt{make.sys}}
\texttt{make.inc}}
\begin{verbatim}
PWOBJS = \
pwscf.o
......@@ -698,7 +698,7 @@ pw.x : $(PWOBJS) libpw.a $(LIBOBJS) $(QEMODS)
It also produces a link to the executable in {\tt espresso/bin/}.
Do not forget tabulators even if you do not see them!
All variables (introduced by \$) are either defined locally
in {\tt Makefile} or imported from {\tt make.sys}}
in {\tt Makefile} or imported from {\tt make.inc}}
\begin{verbatim}
libpw.a : $(PWLIBS)
$(AR) $(ARFLAGS) $@ $?
......@@ -749,12 +749,12 @@ or do not implement properly preprocessing. In this case the
preprocessing is done using \texttt{cpp}.
Normally, \configure\ takes care of this, by selecting the
appropriate rule \texttt{@f90rule@} below, in this section
of file \texttt{make.sys.in}:
of file \texttt{make.inc.in}:
\begin{verbatim}
.f90.o:
@f90rule@
\end{verbatim}
and producing the appropriate file \make.sys.
and producing the appropriate file \make.inc.
Preprocessing is useful to
\begin{itemize}
......@@ -828,7 +828,7 @@ except that:
You may refer to the GNU \autoconf\ Manual for more info.
\texttt{make.sys.in} is the source file for \make.sys, that
\texttt{make.inc.in} is the source file for \make.inc, that
\configure\ generates: you might want to edit that file as well.
The generation procedure is as follows: if \configurac\ contains the macro
"AC\_SUBST(name)", then every occurrence of "@name@" in the source
......@@ -850,10 +850,10 @@ error messages. Note that it is normal for some checks to fail.
In order to support a previously unsupported architecture, first you
have to figure out which compilers, compilation flags, libraries
etc. should be used on that architecture.
In other words, you have to write a \make.sys\ that works: you may use
In other words, you have to write a \make.inc\ that works: you may use
the manual configuration procedure for that (see the
User Guide). Then, you have to modify \configure\ so that it can
generate that \make.sys\ automatically.
generate that \make.inc\ automatically.
To do that, you have to add the case for your architecture in several
places throughout \configurac:
......
......@@ -29,9 +29,10 @@ Incompatible changes in 6.0 version:
* k-point dependent variables npw, igk, and (in LR codes) npwq, igkq,
become local and point to global variables "ngk" and "igk_k", via the
k-point index "ik" or, in LR codes, via "ikks" and "ikkq" indices.
The global variable are computed once, stored in memory, no I/O is done.
The global variables are computed once, stored in memory, no I/O is done.
* "nbnd_occ" variable is now dynamically allocated
* Duplicated and confusing "outdir" variable removed from "io_files"
* Due to frequent problems with mailers, "make.sys" is now "make.inc"
* * * * *
......
......@@ -465,7 +465,7 @@ Additional instructions for special machines:
\noindent \configure\ generates the following files:
\begin{tabular}{ll}
\texttt{make.sys} & compilation rules and flags (used by \texttt{Makefile})\\
\texttt{make.inc} & compilation rules and flags (used by \texttt{Makefile})\\
\texttt{install/configure.msg} & a report of the configuration run (not needed for compilation)\\
\texttt{install/config.log} & detailed log of the configuration run (may be needed for debugging)\\
\texttt{include/fft\_defs.h} & defines fortran variable for C pointer (used only by FFTW)\\
......@@ -475,7 +475,10 @@ Additional instructions for special machines:
NOTA BENE: unlike previous versions, \configure\ no longer runs the
\texttt{makedeps.sh} shell script that updates dependencies. If you modify the
sources, run \texttt{./install/makedeps.sh} or type \texttt{make depend}
to update files \texttt{make.depend} in the various subdirectories.
to update files \texttt{make.depend} in the various subdirectories.\\
NOTA BENE 2: ``make.inc'' used to be called ``make.sys'' until v.6.0. The
change of name is due to frequent probelms with mailers assuming that
whatever ends in ``sys'' is a suspect virus.
You should always be able to compile the \qe\ suite
of programs without having to edit any of the generated files. However you
......@@ -573,15 +576,15 @@ see the Developer Manual.
\subsubsection{Manual configuration}
\label{SubSec:manconf}
If \configure\ stops before the end, and you don't find a way to fix
it, you have to write working \texttt{make.sys}, \texttt{include/fft\_defs.h}
it, you have to write working \texttt{make.inc}, \texttt{include/fft\_defs.h}
and \texttt{include/c\_defs.h} files.
For the latter two files, follow the explanations in
\texttt{include/defs.h.README}.
If \configure\ has run till the end, you should need only to
edit \texttt{make.sys}. A few sample \texttt{make.sys} files
edit \texttt{make.inc}. A few sample \texttt{make.inc} files
are provided in \texttt{install/Make.}{\em system}. The template used
by \configure\ is also found there as \texttt{install/make.sys.in}
by \configure\ is also found there as \texttt{install/make.inc.in}
and contains explanations of the meaning
of the various variables. Note that you may need
to select appropriate preprocessing flags
......@@ -647,8 +650,8 @@ if none is found, it will fall back to the internal copy of FFTW.
\item \texttt{-D\_\_FFTW3} for FFTW3 (external),
\item \texttt{-D\_\_FFTW}) for FFTW (internal library),
\end{itemize}
to \texttt{DFLAGS} in the \texttt{make.sys} file.
If you edit \texttt{make.sys} manually, please note that one and
to \texttt{DFLAGS} in the \texttt{make.inc} file.
If you edit \texttt{make.inc} manually, please note that one and
only one among the mentioned preprocessing option must be set.
If you have MKL libraries, you may either use the provided FFTW3
......@@ -672,7 +675,7 @@ The \configure\ script attempts to find optimized libraries, but may fail
if they have been installed in non-standard places. You should examine
the final value of \texttt{BLAS\_LIBS, LAPACK\_LIBS, FFT\_LIBS, MPI\_LIBS} (if needed),
\texttt{MASS\_LIBS} (IBM only), either in the output of \configure\ or in the generated
\texttt{make.sys}, to check whether it found all the libraries that you intend to use.
\texttt{make.inc}, to check whether it found all the libraries that you intend to use.
If some library was not found, you can specify a list of directories to search
in the environment variable \texttt{LIBDIRS},
......@@ -730,7 +733,7 @@ At your choice, you may compile the complete \qe\ suite of programs
recompiles \PWscf\ and \CP\ with \texttt{PLUMED}
support
\item \texttt{make w90} downloads \texttt{wannier90}, unpacks it, copies an appropriate
\texttt{make.sys} file, produces all executables
\texttt{make.inc} file, produces all executables
in \texttt{W90/wannier90.x} and in \texttt{bin/}
\item \texttt{make want} downloads \texttt{WanT} from \texttt{QE-FORGE},
unpacks it, runs its \configure,
......@@ -941,7 +944,7 @@ For Cray XE machines:
\begin{verbatim}
$ module swap PrgEnv-cray PrgEnv-pgi
$ ./configure --enable-openmp --enable-parallel --with-scalapack
$ vim make.sys
$ vim make.inc
\end{verbatim}
then manually add \texttt{-D\_\_IOTK\_WORKAROUND1} at the end of \texttt{DFLAGS} line.
......@@ -1072,7 +1075,7 @@ can be freely downloaded from the AMD site.
It is recognized by \configure\ but little tested. It sort of works
but it fails to pass several tests (info by Paolo Giannozzi, March 2010).
"I have configured for Pathscale, then switched to the Open64 compiler by
editing make.sys. "make pw" succeeded and pw.x did process my file, but with
editing make.inc. "make pw" succeeded and pw.x did process my file, but with
"make all" I get an internal compiler error [in CPV/wf.f90]" (info by Cezary
Sliwa, April 2011).
......@@ -1323,7 +1326,7 @@ multithreading FFTs. If you are using MKL,\footnote{Beware:
MKL v.10.2.2 has a buggy \texttt{dsyev} yielding wrong results
with more than one thread; fixed in v.10.2.4}
you may want to select FFTW3 (set \texttt{CPPFLAGS=-D\_\_FFTW3...}
in \texttt{make.sys}) and to link with the MKL interface to FFTW3.
in \texttt{make.inc}) and to link with the MKL interface to FFTW3.
You will get a decent speedup ($\sim 25$\%) on two cores.
Explicit OpenMP is a recent addition, still under
......@@ -1471,7 +1474,7 @@ Since v.4.1, ScaLAPACK can be used to diagonalize block distributed
matrices, yielding better speed-up than the internal algorithms for
large ($ > 1000\times 1000$) matrices, when using a large number of processors
($> 512$). You need to have \texttt{-D\_\_SCALAPACK} added to DFLAGS
in \texttt{make.sys}, LAPACK\_LIBS set to something like:
in \texttt{make.inc}, LAPACK\_LIBS set to something like:
\begin{verbatim}
LAPACK_LIBS = -lscalapack -lblacs -lblacsF77init -lblacs -llapack
\end{verbatim}
......
# Makefile for EPW
include ../../make.sys
include ../../make.inc
include make.libs
#
......
# Makefile for FFTXlib
include ../make.sys
include ../make.inc
# location of needed modules
#MODFLAGS= $(MOD_FLAG)../iotk/src $(MOD_FLAG).
......
# makefile for pwgui
sinclude ../make.sys
sinclude ../make.inc
# do nothing by default !!!
default:
......
......@@ -123,7 +123,7 @@ _repack_pwgui:
rm pwgui.tar
_create_starkit_vfs: _clean_scratch
cd $(PWGUI_VFS); touch make.sys make.versions; make distclean
cd $(PWGUI_VFS); touch make.inc make.versions; make distclean
TOPDIR=$(HERE) PWGUI_VFS=$(PWGUI_VFS) \
PWGUI_VERSION=$(PWGUI_VERSION) PWGUI_DIRNAME=$(PWGUI_DIRNAME) \
GUIB_VERSION=$(_GUIB_VERSION) GUIB_DIRNAME=$(_GUIB_DIRNAME) $(STARKIT)
......
include make.sys
include make.inc
include make.versions
VFSDIR=pwgui.vfs
......@@ -59,4 +59,4 @@ clean:
-rm -rf pwgui pwgui.kit *~ pwgui*tgz pwgui*zip
distclean: clean
-rm -rf $(VFSDIR) tclkit-runtime make.sys main.tcl.sh make.versions
-rm -rf $(VFSDIR) tclkit-runtime make.inc main.tcl.sh make.versions
include ../make.sys
include ../make.inc
all: libminpack pw4gwwa heada gwwa bsea
......
# Makefile for BSE
#
include ../../make.sys
include ../../make.inc
# location of include files
IFLAGS=-I../../include
......
# Makefile for GWW
# Author: G. Stenuit and L. Martin-Samos
#
include ../../make.sys
include ../../make.inc
# location of include files
IFLAGS=
......
......@@ -2,7 +2,7 @@
#
# Author G. Stenuit
#
include ../../make.sys
include ../../make.inc
# location of include files
IFLAGS=-I../../include
......
# Makefile for Minpack
include ../../make.sys
include ../../make.inc
MINOBJS = \
dpmpar.o \
......
# Makefile for pw4gww (PW4GWW)
# Author G. Stenuit and L. Martin-Samos
include ../../make.sys
include ../../make.inc
# location of include files
IFLAGS=-I../../include
......
# Makefile for LAXlib
include ../make.sys
include ../make.inc
MODFLAGS= $(MOD_FLAG)../ELPA/src
......
# Makefile for LR_Modules
include ../make.sys
include ../make.inc
# location of needed modules and included files (if any)
MODFLAGS=$(MOD_FLAG)../FFTXlib $(MOD_FLAG)../Modules $(MOD_FLAG)../PW/src $(MOD_FLAG).
......
......@@ -6,7 +6,7 @@
# of the License. See the file `License' in the root directory
# of the present distribution.
include make.sys
include make.inc
default :
@echo 'to install Quantum ESPRESSO, type at the shell prompt:'
......@@ -272,7 +272,7 @@ test-suite: pw cp touch-dummy
# remove object files and executables
clean : doc_clean
touch make.sys
touch make.inc
for dir in \
CPV LAXlib FFTXlib Modules PP PW \
NEB ACFDT COUPLE GWW XSpectra \
......@@ -287,8 +287,6 @@ clean : doc_clean
- @(cd install ; $(MAKE) -f plugins_makefile clean)
- @(cd install ; $(MAKE) -f extlibs_makefile clean)
- /bin/rm -rf bin/*.x tmp
- cd PW/tests; /bin/rm -rf CRASH *.out *.out? ; cd -
- cd CPV/tests; /bin/rm -rf CRASH *.out *.out?
# remove files produced by "configure" as well
veryclean : clean
......@@ -302,7 +300,7 @@ veryclean : clean
- cd install; ./clean.sh ; cd -
- cd include; ./clean.sh ; cd -
- rm -f espresso.tar.gz
- rm -rf make.sys
- rm -rf make.inc
# remove everything not in the original distribution
distclean : veryclean
......
# Makefile for Modules
include ../make.sys
include ../make.inc
# location of needed modules
MODFLAGS= $(MOD_FLAG)../iotk/src $(MOD_FLAG)../ELPA/src $(MOD_FLAG)../FFTXlib $(MOD_FLAG)../LAXlib $(MOD_FLAG).
......
......@@ -8,7 +8,7 @@
!--------------------------------------------------------------------------
! Wrapper for nonstandard implementation of complex BLAS function zdotc
! (e.g. some versions of optimized BLAS for Mac)
! In order to activate it, add -Dzdotc=zdotc_wrapper to DFLAGS in make.sys
! In order to activate it, add -Dzdotc=zdotc_wrapper to DFLAGS in make.inc
!--------------------------------------------------------------------------
FUNCTION zdotc_wrapper(n,a,ia,b,ib) RESULT(c)
!--------------------------------------------------------------------------
......
# Makefile for NEB
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for NEB
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src \
......
# Makefile for 3rd derivative calculations - D3
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG)../../FFTXlib \
......
# Makefile for school
include ../../make.sys
include ../../make.inc
# location of include files
#IFLAGS=-I../../../include
......
# Makefile for Gamma-only phonon code
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules \
......
# Makefile for PH
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for phonon (PH)
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG)../../LAXlib \
......
# Makefile for PostProc
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for postprocessing (PP)
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules \
......
......@@ -1002,7 +1002,7 @@ After the condition is met, the code will try to stop cleanly as soon as possibl
If the previous execution of the code has stopped properly, restarting is possible setting restart\_mode=``restart'' in the control namelist.
\subsubsection{Signal trapping (experimental!)}
In order to compile signal-trapping add \mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to \mbox{MANUAL\_DFLAGS} in the make.sys file. Currently the code intercepts \mbox{SIGINT}, \mbox{SIGTERM}, \mbox{SIGUSR1}, \mbox{SIGUSR2}, \mbox{SIGXCPU}; signals can be added or removed editing the file {\tt clib/custom\_signals.c}.
In order to compile signal-trapping add \mbox{"-D\_\_TERMINATE\_GRACEFULLY"} to \mbox{MANUAL\_DFLAGS} in the make.doc file. Currently the code intercepts \mbox{SIGINT}, \mbox{SIGTERM}, \mbox{SIGUSR1}, \mbox{SIGUSR2}, \mbox{SIGXCPU}; signals can be added or removed editing the file {\tt clib/custom\_signals.c}.
Common queue systems will send a signal some time before killing a job. The exact behaviour depends on the queue systems and could be configured. Some examples:
......
# Makefile for PW
sinclude ../make.sys
sinclude ../make.inc
default: all
......
# Makefile for PW
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG)../../FFTXlib $(MOD_FLAG)../../LAXlib
......
# Makefile for tools
include ../../make.sys
include ../../make.inc
# location of needed modules
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules \
......
# Makefile for ballistic conductance (PWCOND)
include ../../make.sys
include ../../make.inc
# location of needed modules and included files (if any)
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules \
......
include ../make.sys
include ../make.inc
NAME = Benzene
......
include ../make.sys
include ../make.inc
NAME = CH4-BOND
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4-PR
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = CH4
......
include ../make.sys
include ../make.inc
NAME = Ag
......
include ../make.sys
include ../make.inc
NAME = Al
......
include ../make.sys
include ../make.inc
NAME = Bi
......
include ../make.sys
include ../make.inc
NAME = Si
......
include ../make.sys
include ../make.inc
NAME = H2O
......
......@@ -4,7 +4,7 @@ Each example can be run separately by running "make" in its designated directory
"make clean" resets the tests.
make.sys can be edited for parallel executions of tests by editing "RUNNER" variable
make.inc can be edited for parallel executions of tests by editing "RUNNER" variable
(e.g. RUNNER = mpirun -np 4)
Examples:
......
include ../make.sys
include ../make.inc
NAME = SiH4
......
# Makefile for TDDFPT
include ../make.sys
include ../make.inc
default: all
......
# Makefile for TDDFPT
include ../../make.sys
include ../../make.inc
IFLAGS = -I../../include
LIBOBJS = ../../clib/clib.a ../../iotk/src/libiotk.a
......