Dear Nick,
Thank you for your response,
I made corrections to my arch.make according to your suggestions.
The error was due to mpif90 for some reason in my arch.make. I tried to
use mpiifort instead and that just compiled with no error.
Is there a specific reason why mpif90 caused a problem? (Sorry if the
question is dumb ;-))
Thank you for your help and I wish you a very good Christmas.
Jean-Jo
Le 18/12/2017 à 16:57, Nick Papior a écrit :
Dear jean-jo
When using intel compilers you should add this to your arch.make:
# The atom.f code is very vulnerable. Particularly the Intel compiler
# will make an erroneous compilation of atom.f with high optimization
# levels.
atom.o: atom.F
$(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS)
$(FPPFLAGS_fixed_F) $<
state_analysis.o: state_analysis.F
$(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS)
$(FPPFLAGS_fixed_F) $<
Also,
1) add .c to the .SUFFIXES list
2) Do not use libsiestaLAPACK when you have MKL available, these
lapack/blas are *only* for testing purposes (they are very slow).
On a side-note, are you sure your bullxmpi works
with -lmkl_blacs_intelmpi_lp64? As far as I can see bullxmpi is an
OpenMPI variant which means you need to use -lmkl_blacs_openmpi_lp64
instead.
Lastly, the errors you see are probably because you haven't done a
make clean?
2017-12-15 15:57 GMT+01:00 Jean-Joseph Adjizian
<jean.adjiz...@uclouvain.be <mailto:jean.adjiz...@uclouvain.be>>:
Dear all,
I am trying to install TBtrans with NETCDF dependencies using the
latest version 4.1-b3.
The libraries i am using are intelmpi/2017.3.196/64 and
mkl/lp64/11.2.4.223 <http://11.2.4.223>.
Any installation (Siesta, transiesta) with these libraries work
just fine without netcdf.
It is only when I add the netcdf flags in the arch.make.
To install netcdf, I used the script 'install_netcdf4.bash' given
in the Docs folder.
It seems to work fine since I get this message after execution:
/Completed installing Fortran NetCDF library//
//
//##########################//
//# Completed installation #//
//# of NetCDF package #//
//# and its dependencies #//
//##########################//
//
//
//Please add the following to the BOTTOM of your arch.make file//
//
//INCFLAGS +=
-I/software/netcdf_Tbtrans/for_4.1_b3/build/netcdf/4.4.1.1/include
<http://4.4.1.1/include>//
//LDFLAGS +=
-L/software/netcdf_Tbtrans/for_4.1_b3/build/zlib/1.2.11/lib
-Wl,-rpath=/software/netcdf_Tbtrans/for_4.1_b3/build/zlib/1.2.11/lib//
//LDFLAGS +=
-L/software/netcdf_Tbtrans/for_4.1_b3/build/hdf5/1.8.16/lib
-Wl,-rpath=/software/netcdf_Tbtrans/for_4.1_b3/build/hdf5/1.8.16/lib//
//LDFLAGS +=
-L////software//netcdf_Tbtrans/for_4.1_b3/build/netcdf/4.4.1.1/lib
-Wl,-rpath=/software/netcdf_Tbtrans/for_4.1_b3/build/netcdf/4.4.1.1/lib
<http://4.4.1.1/lib-Wl,-rpath=/software/netcdf_Tbtrans/for_4.1_b3/build/netcdf/4.4.1.1/lib>//
//LIBS += -lnetcdff -lnetcdf -lhdf5_hl -lhdf5 -lz//
//COMP_LIBS += libncdf.a libfdict.a//
//FPPFLAGS += -DCDF -DNCDF -DNCDF_4/
So I add these line in my arch.make. But when I try to compile
Transiesta and TBtrans I get the following:
/netcdf_ncdf.f90(280): error #7013: This module file was not
generated by any release of this compiler. [MPI]//
// use mpi//
//--------^//
//netcdf_ncdf.f90(356): error #6580: Name in only-list does not
exist. [MPI_INFO_NULL]//
// use mpi, only : MPI_INFO_NULL//
//--------------------^//
//netcdf_ncdf.f90(401): error #7013: This module file was not
generated by any release of this compiler. [MPI]//
// use mpi, only : MPI_INFO_NULL//
//--------^//
//netcdf_ncdf.f90(2966): error #7013: This module file was not
generated by any release of this compiler. [MPI]//
// use mpi//
//--------^//
//netcdf_ncdf.f90(387): error #6404: This name does not have a
type, and must have an explicit type. [MPI_INFO_NULL]//
// comm = this%comm, info=MPI_INFO_NULL), &//
//-----------------------------------^//
//netcdf_ncdf.f90(433): error #6406: Conflicting attributes or
multiple declaration of name. [MPI_INFO_NULL]//
// comm = this%comm, info=MPI_INFO_NULL), &//
//-----------------------------------^//
//netcdf_ncdf.f90(401): error #6580: Name in only-list does not
exist. [MPI_INFO_NULL]//
// use mpi, only : MPI_INFO_NULL//
//--------------------^//
//netcdf_ncdf.f90(3054): error #6404: This name does not have a
type, and must have an explicit type. [MPI_COMM_WORLD]//
// call MPI_Comm_Rank(MPI_Comm_World,Node,MPIerror)//
//-----------------------^//
//compilation aborted for netcdf_ncdf.f90 (code 1)//
//make[1]: *** [netcdf_ncdf.o] Error 1//
//make[1]: Leaving directory
`/software/transiesta/4.1_b3_NETCDF/src/Util/TS/TBtrans/ncdf'//
//make: *** [libncdf.a] Error 2
/Please also find the arch.make I am using for this.
Any tip?
Thank you for your kind help.
All the best,
Jean-Jo
ps: Apologies for any inconvenience.
--
Kind regards Nick
