You are doing at least 2 things wrong in your arch.make for a successful application.
Please go through the mailing list about compilation with intel compilation. If you have questions, please refer to those posts as that makes it easier to track how you got your arch.make to its current state. Generally it seems that a lot of people simply copy arch.make files from other people on this list, that can at best be very erroneous. If people give you help about an arch.make file, please understand what it does before use. You need not know the exact details of each flag, but a hint of what it does should indicate whether it is "important" or simply an optional flag for successful compilation. Refer to compilers help/manual for documentation. 2015-07-21 14:14 GMT+00:00 Boubacar Traore <[email protected]>: > 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 >>> >> > -- Kind regards Nick
