34ce1bef94
based upon the DFT++ algebraic framework introduced in Computer Physics Communications 128, 1-45 (June 2000). This framework allows us to transparently separate the computational guts (cache optimization, parallelization, etc.) from the introduction of new representations (plane waves, wavelets) and new physics (new density functionals, linear response theory, dielectric solutions). The software is fully cache and register optimized, and runs in serial, threaded, MPI and mixed threaded-MPI parallel environments.
99 lines
2.2 KiB
Text
99 lines
2.2 KiB
Text
--- /dev/null Sat Mar 20 00:09:42 2004
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+++ makefile.local-pw Sat Mar 20 00:01:36 2004
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@@ -0,0 +1,96 @@
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+#
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+# This makefile is included from 'makefile'. It defines the
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+# various machine dependent things such as compiler commands,
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+# directories, libraries, etc.
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+#
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+
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+#
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+# FFTW directories
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+#
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+FFTW_DIR = -I%%LOCALBASE%%/include
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+FFTW_LIB_DIR = -L%%LOCALBASE%%/lib
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+
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+#
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+# The matrix diagonalization libraries, object, and and compile options
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+# (LAPACK, ESSL, or the in-house supplied Jacobi diagonalizer).
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+#
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+# MATDIAG_OBJ must be either lapackdiagF77.o, essldiagF77.o, or jacobi.o
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+# depending on which library you are going to use.
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+#
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+# MATDIAG_OPTS tells the system which library you will be using (i.e.
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+# whether you're linking to lapackdiagF77.o, essldiagF77.o, or jacobi.o).
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+# Set it to one of -DDFT_USE_LAPACK, -DDFT_USE_ESSL, or -DDFT_USE_JACOBI
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+#
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+# MATDIAG_LIB_DIR is the directory where the lapack library lives
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+# (needed if the complier can't find it automatically)
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+# If using jacobi.o, set it to ".".
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+#
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+MATDIAG_OBJ = matdiagC.o
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+MATDIAG_OPTS = -DDFT_USE_LAPACK
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+MATDIAG_LIB_DIR = -L.
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+
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+#
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+# Our libraries: FFTW, math library, and possible LAPACK/BLAS libraries
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+#
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+LIBS = ${FFTW_LIB_DIR} ${MATDIAG_LIB_DIR} %%LAPACK%% %%FFTW%% -lm
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+#
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+
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+#
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+# Optimization options for all compilers
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+#
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+OPTIM_OPTS = %%OPTIMIZED_FLAGS%%
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+
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+#
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+# Parallelization options: machine dependent ones go here, **PLUS**
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+#
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+# put -DDFT_THREAD to use POSIX threads (SMP)
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+# put -DDFT_MPI to use MPI (DMP)
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+# (you can specify both if needed)
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+#
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+PARALLEL_OPTS =
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+
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+#
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+# Compiler flags for all compilers
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+#
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+COMPILE_OPTS = -g -I. -Icommands ${FFTW_DIR} \
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+ ${OPTIM_OPTS} ${PARALLEL_OPTS} ${MATDIAG_OPTS}
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+
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+#
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+# C++ compiler and options
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+#
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+CPLUSPLUS = %%CXX%%
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+CPLUSPLUSOPTS = ${COMPILE_OPTS}
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+
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+#
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+# C compiler and options
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+#
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+CC = %%CC%%
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+CCOPTS = ${COMPILE_OPTS}
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+
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+#
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+# F77 compiler and options
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+#
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+F77 = %%FC%%
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+F77OPTS = ${COMPILE_OPTS}
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+
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+#
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+# Linker to use
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+#
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+# Note: on some linux platforms, using ${F77} as the linker works
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+# better (then you exclude any -lf2c libraries).
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+#
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+LINKER = ${CPLUSPLUS}
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+
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+#
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+# Linking options: static/dynamic flags, etc., if any
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+#
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+LINKOPTS = ${CPLUSPLUSOPTS}
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+
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+
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+
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+
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+
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+
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+
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+
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+
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