Compilation of Util/TS/tshs2tshs

Asked by Nspiller on 2017-12-07

Dear all,

I have compiled TranSIESTA-4.1-b3 with the arch.make posted below.
Running make in the folder Utils/TS/tshs2tshs/ returns me the following error:

##########
mpif90 -c -g -O0 -I/home/nico/siesta-4.1-b3/netcdf/build/netcdf/4.5.0/include -DFC_HAVE_ABORT -DCDF -DNCDF -DNCDF_4 -UMPI -UNCDF_PARALLEL /home/nico/siesta-4.1-b3/Util/TS/tshs2tshs/../../../Src/atom.F
/home/nico/siesta-4.1-b3/Util/TS/tshs2tshs/../../../Src/atom.F:43:9:

       use siestaXC, only: atomXC ! XC for a spherical charge
         1
Fatal Error: Can't open module file ‘siestaxc.mod’ for reading at (1): No such file or directory
compilation terminated.
../../../transiesta-openblas-lapack-netcdf/arch.make:193: recipe for target 'atom.o' failed
make: *** [atom.o] Error 1
##########

Can you see what I am doing wrong?

Thanks ahead,
Nico

##########

arch.make:
.SUFFIXES:
.SUFFIXES: .f .F .o .c .a .f90 .F90

SIESTA_ARCH = compilation-siesta-minimal

CC = gcc
FPP = $(FC) -E -P -x c
FC = mpif90
FC_SERIAL = gfortran
FFLAGS = -O2 -fPIC -ftree-vectorize -march=native

AR = ar
ARFLAGS_EXTRA =
RANLIB = ranlib
SYS = nag
SP_KIND = 4
DP_KIND = 8
KINDS = $(SP_KIND) $(DP_KIND)

DEFS_PREFIX =
LDFLAGS =

FCFLAGS_fixed_f =
FCFLAGS_free_f90 =
FPPFLAGS_fixed_F =
FPPFLAGS_free_F90 =

BLAS_LIBS = -L/home/nico/OpenBLAS/ -lopenblas
LAPACK_LIBS = -L/home/nico/OpenBLAS/ -llapack

FPPFLAGS = $(DEFS_PREFIX)-DFC_HAVE_ABORT

LIBS = $(NETCDF_LIBS) $(SCALAPACK_LIBS) $(BLAS_LIBS) $(LAPACK_LIBS) $(MPI_LIBS) $(COMP_LIBS)

LIBS += -lnetcdff -lnetcdf -lhdf5_fortran -lhdf5 -lz
INCFLAGS += -I/home/nico/siesta-4.1-b3/netcdf/build/netcdf/4.5.0/include
LDFLAGS += -L/home/nico/siesta-4.1-b3/netcdf/build/zlib/1.2.11/lib -Wl,-rpath=/home/nico/siesta-4.1-b3/netcdf/build/zlib/1.2.11/lib
LDFLAGS += -L/home/nico/siesta-4.1-b3/netcdf/build/hdf5/1.8.20/lib -Wl,-rpath=/home/nico/siesta-4.1-b3/netcdf/build/hdf5/1.8.20/lib
LDFLAGS += -L/home/nico/siesta-4.1-b3/netcdf/build/netcdf/4.5.0/lib -Wl,-rpath=/home/nico/siesta-4.1-b3/netcdf/build/netcdf/4.5.0/lib
LIBS += -lnetcdff -lnetcdf -lhdf5_hl -lhdf5 -lz
COMP_LIBS += libncdf.a libfdict.a
FPPFLAGS += -DCDF -DNCDF -DNCDF_4

FFLAGS_DEBUG = -g -O0 # your appropriate flags here...

atom.o: atom.F
 $(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<

.c.o:
 $(CC) -c $(CFLAGS) $(INCFLAGS) $(CPPFLAGS) $<
.F.o:
 $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.F90.o:
 $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
.f.o:
 $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $<
.f90.o:
 $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<

Question information

Language:
English Edit question
Status:
Answered
For:
Siesta Edit question
Assignee:
No assignee Edit question
Last query:
2017-12-07
Last reply:
2017-12-11
Nick Papior (nickpapior) said : #1

You can try and download sfmakedepend and do a make dep in the corresponding folder. However, I can't reproduce the error you see.

However, tshs2tshs is only relevant if you want to use newer TSHS files in older tbtrans versions. So it isn't directly necessary.

Can you help with this problem?

Provide an answer of your own, or ask Nspiller for more information if necessary.

To post a message you must log in.