Hi Nick, Thank you for your reply! Now siesta compiled properly.
However, when I run the tests, some of the get passed while sometimes I
get errors like this :
--
Running mgco3 test...
==> Copying pseudopotential file for Mg...
==> Copying pseudopotential file for C...
==> Copying pseudopotential file for O...
==> Running SIESTA as ../../../siesta
forrtl: severe (71): integer divide by zero
Image PC Routine Line Source
siesta 00000000004C3E10 idiag_ 71 idiag.f
siesta 00000000005C1C02 m_find_kgrid_mp_f 112
find_kgrid.F
siesta 00000000005BFD50 kpoint_grid_mp_se 79
kpoint_grid.F90
siesta 000000000061F236 m_siesta_init_mp_ 294
siesta_init.F
siesta 000000000063B12E MAIN__ 16 siesta.F
siesta 000000000041641C Unknown Unknown Unknown
libc.so.6 0000003BE761ED5D Unknown Unknown Unknown
siesta 0000000000416319 Unknown Unknown Unknown
make[1]: *** [completed_work] Error 71
make[1]: Leaving directory
`/opt/home/traoreb/siesta-3.2-pl-5/Obj/Tests/mgco3'
make[1]: Entering directory
`/opt/home/traoreb/siesta-3.2-pl-5/Obj/Tests/si2x1h'
---
It seems that siesta binary file some issues. I'm using ifort version
13.0.1 for the compilation.
Attached is my new arch.make file.
Are there some compiler flags that I need to set to avoid these problems?
Or any optimization?
Thanks,
Boubacar
On Tue, Jul 21, 2015 at 2:12 PM, Nick Papior <[email protected]> wrote:
> You have set sp_kind to 1, I assume you have not used configure to create
> the initial arch.make file?
> On Intel compilers it should be 4.
> Remember to do make clean before rerunning make.
> On 21 Jul 2015 12:29, "Boubacar Traore" <[email protected]> wrote:
>
>> Dear all,
>>
>> I am trying to compile siesta-3 in parallel with intel fortran compiler.
>> I tried to get inspiration from the different topics related to the
>> compilation issues using arch.make file but my problem is still not solved.
>> Attached is my arch.make file.
>>
>> The compilation always returns this error allong the way which is partly
>> reproduced below:
>> I cannot figure what I am doing wrong.
>>
>>
>>
>> ----------------------------------------------------------------------------
>> make[1]: Entering directory `/opt/home/traoreb/siesta-3.2-pl-5/Obj/MPI'
>> mpif90 -c -mp1 -w -prec_div -pad -O3 -openmp
>> -I/opt/openmpi-1.8.7/include
>> /opt/home/traoreb/siesta-3.2-pl-5/Src/MPI/mpi__include.f90
>> if [ -z "1 8" ] ; then make kind_explorer ; fi
>> The kind numbers for single and double precision reals follow
>> sh /opt/home/traoreb/siesta-3.2-pl-5/Src/MPI/generate.sh "1 8"
>> ===> Generating module files from templates...
>> 1 8
>> mpif90 -c -mp1 -w -prec_div -pad -O3 -openmp
>> -I/opt/openmpi-1.8.7/include Interfaces.f90
>> Interfaces.f90(960): error #6684: This is an incorrect value for a kind
>> type parameter in this context. [1]
>> real(1), INTENT(IN) :: BUF(*)
>> ---------------^
>> Interfaces.f90(975): error #6684: This is an incorrect value for a kind
>> type parameter in this context. [1]
>> real(1), INTENT(OUT) :: BUF(*)
>> ---------------^
>> .
>> .
>> .
>> Interfaces.f90(1525): catastrophic error: Too many errors, exiting
>> compilation aborted for Interfaces.f90 (code 1)
>> make[1]: *** [Interfaces.o] Error 1
>> make[1]: Leaving directory `/opt/home/traoreb/siesta-3.2-pl-5/Obj/MPI'
>> make: *** [libmpi_f90.a] Error 2
>>
>> ----------------------------------------------------------------------
>>
>> Thank you for response !!!
>>
>> Boubacar
>>
>
arch.make
Description: Binary data
