-
Notifications
You must be signed in to change notification settings - Fork 7
/
make.def
68 lines (62 loc) · 2.93 KB
/
make.def
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
#-------------------------------------------------------------------------------
SRC_MPI = mpi_stub.f90
# To enable MPI parallelism the MPI version of the Fortran compiler must be
# used. This is usually mpif90. Uncomment the following lines and run
# 'make clean' followed by 'make'.
#F90 = mpif90
#F77 = mpif90
#SRC_MPI =
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_W90 = wannier_setup.f90 wannier_run.f90
LIB_W90 =
#
# WARNING: if you would like to use Wannierization - comment first couple of
# lines and follow instructions further.
#
# To enable Wannier90 library first download and compile as a library latest
# version of Wannier90 (current one is 2.1.0). Then copy the file libwannier.a
# to the elk/src directory. Uncomment the lines below and run 'make clean'
# followed by 'make'.
#SRC_W90 =
#LIB_W90 = libwannier.a
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_libxc = libxcifc_stub.f90
# To enable Libxc first download and compile version 4.x of the library. Next
# copy the files libxcf90.a and libxc.a to the elk/src directory. Then uncomment
# the following lines and run 'make clean' followed by 'make'.
#LIB_libxc = libxcf90.a libxc.a
#SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
SRC_FFT = zfftifc.f90
# To use a different FFT library, copy the relevant library or include files to
# the elk/src directory (if required), uncomment the appropriate lines below and
# run 'make clean' followed by 'make'.
#SRC_FFT = zfftifc_fftw.f90
#LIB_FFT = libfftw3.a
#SRC_FFT = mkl_dfti.f90 zfftifc_mkl.f90
#-------------------------------------------------------------------------------
#-------------------------------------------------------------------------------
# As an example, here is the make.inc file we use for our cluster. It uses MKL
# LAPACK and BLAS, MKL FFTW, Libxc and Wannier90 library. The Fortran compiler
# is mpif90 which enables MPI parallelism. All libraries are statically linked.
#
# MKLROOT = /cluster/intel_2018/mkl/
# MAKE = make
# F90 = mpif90
# F90_OPTS = -O3 -ip -axCORE-AVX2,AVX,SSE4.2 -qopenmp -I$(MKLROOT)/include
# F77 = mpif90
# F77_OPTS = -O3 -ip -axCORE-AVX2,AVX,SSE4.2 -qopenmp
# AR = xiar
# LIB_SYS =
# LIB_LPK = -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a -Wl,--end-group -lpthread -lm -qopenmp
# SRC_MPI =
# LIB_libxc = libxcf90.a libxc.a
# SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90
# SRC_FFT = zfftifc_fftw.f90
# SRC_W90 =
# LIB_W90 = libwannier.a
#
#-------------------------------------------------------------------------------