Hi zhu
I try to use ifort 11.0 to compile siesta 3.0b. The process is
summarized as follows.
First I input './configure --enable-mpi --with-siesta-blas
--with-siesta-lapack
--with-blacs=/opt/intel/mkl/10.1.0.015/lib/em64t/libmkl_blacs_lp64.a
--with-scalapack=//opt/intel/mkl/10.1.0.015/lib/em64t/libmkl_scalapack_lp64.a
FC=mpif90 CC=mpicc' in Src folder.
Second I go to Obj folder and type 'sh ../Src/obj_setup.sh' as manual
told. and modify the line concerning mpi's include as
'MPI_INCLUDE=/home/vega/espresso/mpich2/include/'
Third I type 'make' in the Src folder.
Then the error comes like this:
/home/vega/siesta-3.0-b/Src/siesta_forces.F(53): error #6404: This name
does not have a type, and must have an explicit type.
[SCFCONVERGENCE_TEST%%CONVERGER_T]
call state_init( istep )
^
(128): catastrophic error: Internal Compiler Error: possible out of
order or missing USE in ret_sym_for_type
compilation aborted for
/home/vega/espresso/siesta-3.0-b/Src/siesta_forces.F (code 1)
make: *** [siesta_forces.o] Error 1
How could I cope with this problem?
Thank you in advance
best,
vega
On 2010-04-01 15:22, Zhu Xi wrote:
Hi,
ifort11 is fine for siesta3.0b,
what's your problem?
2010/4/1 vega lew <quantum...@gmail.com <mailto:quantum...@gmail.com>>
Dear all
I wonder whether developers have any strategy to on porting SIESTA
to GPU computers with CUDA? Is there a schedule for this?
By the way, I try to compile SIESTA 3.0b with Fortran 11.0. But I
failed. And I find many people in China has problems in compiling
it with new version of intel fortran.
Thank you again for you time.
best,
vega
--
================================================
Vega Lew ( weijia liu)
Graduate students
State Key Laboratory of Materials-oriented Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, China
***************************************************************
Email: vega...@gmail.com <mailto:vega...@gmail.com>
Office: Room A705, Technical Innovation Building,
Xinmofan Road 5#, Nanjing, China
***************************************************************
--
================================================
Vega Lew ( weijia liu)
Graduate students
State Key Laboratory of Materials-oriented Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, China
***************************************************************
Email: vega...@gmail.com
Office: Room A705, Technical Innovation Building,
Xinmofan Road 5#, Nanjing, China
***************************************************************
