[molpro-user] Installation problem with make command

[Cayo Emilio]

Andy,
Thank you for your help. The problem was solved after setting the impi
variables and starting a mpd as you suggested.
I was able to finish the make command and make tuning. I am having trouble
now with the tests.
Several tests ends with the following error:
Running job aims.test

 GLOBAL ERROR fehler on processor   0

    0: fehler 1 (0x1).
    0: In mpi_utils.c [MPIGA_Error]: now exiting...
rank 0 in job 12  lab221-2_42435   caused collective abort of all ranks
  exit status of rank 0: return code 1
Received signal 11 Segmentation violation
    0: fehler 1 (0x1).
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
Received signal 11 Segmentation violation
    0: fehler 1 (0x1).
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
**** PROBLEMS WITH JOB aims.test
aims.test: ERRORS DETECTED: non-zero return code ... inspect output
**** For further information, look in the output file
**** /home/lab221/Molpro/testjobs/aims.errout

There is no .log or .out file, only the .errout, in wich the last line the
same message: ERRORS DETECTED: non-zero return code ... inspect output
This happened with 52 tests so far (I am at glycine_opt right now).
I saw that Andy has already answered related problems, but I got no clue
from those emails.

Any way to fix this?
Thanks
Cayo

Em ter, 23 de fev de 2016 às 19:30, Andy May <ajmay81 at gmail.com> escreveu:

> Cayo,
>
> Did you follow up the suggestions, i.e. check that mpd is running?
> Probably you can start mpd with:
>
> mpd &
>
> if you search the internet for the reported message "1. no mpd is running
> on this host" it will explain the problem.
>
> Best wishes,
>
> Andy
>
> On 23 February 2016 at 14:35, Cayo Emilio <cayoquimica at gmail.com> wrote:
>
>> Dear Molpro users and developers.
>> I am trying to install Molpro 2012.1 without sucess.
>> First, my configure was:
>>
>> $ ./configure -i8 -ifort -icc -mpp -mppbase /opt/intel/impi/
>> 5.1.3.181/intel64/include
>>
>> machine type recognized as x86_64 (Generic 64-bit)
>> kernel recognized as Linux
>>
>> user request compiler ifort
>> Intel Fortran Compiler, Version 16.0.2
>> FC=/opt/intel/compilers_and_libraries_2016.2.181/linux/bin/intel64/ifort
>>
>> user request compiler icc
>> Intel C compiler, Version 16.0.2
>> CC=/opt/intel/compilers_and_libraries_2016.2.181/linux/bin/intel64/icc
>>
>> Use BLAS library - Intel 64-bit Math Kernel Library (MKL) for Linux
>> BLASLIB=-L/opt/intel/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_sequential
>> -lmkl_core
>>
>> Enter BLAS linking flags or [Enter] for above
>>
>> MPILIB=-I/opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/include
>> -I/opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/include
>> -L/opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib/release_mt
>> -L/opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib
>> -Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker
>> /opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib/release_mt
>> -Xlinker -rpath -Xlinker
>> /opt/intel/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib
>> -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/5.1/intel64/lib/release_mt
>> -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/5.1/intel64/lib -lmpifort -lmpi
>> -lmpigi -ldl -lrt -lpthread
>>
>> Enter MPI linking flags or [Enter] for above
>>
>> parallel=intel-mpi
>>
>> Enter max number of atoms [200] :
>>
>> ...
>>
>> Installation directory [/usr/local/molpro] :
>>
>> bin directory (optional) [] :
>>
>> parse-Linux-x86_64-i8.o is your object
>>
>> CONFIG file created; proceed to compilation
>>
>> Then the make command gives me the following error:
>>
>> $ make
>> ...
>> make[4]: Leaving directory '/home/lab221/Molpro/src'
>> compiling molver.F90
>> make[3]: Leaving directory '/home/lab221/Molpro/src'
>> linking ../bin/molpro.exe
>> link done
>> make[2]: Leaving directory '/home/lab221/Molpro/src'
>> make[1]: Leaving directory '/home/lab221/Molpro/src'
>> building bin/molpro.sh
>> make[1]: Entering directory '/home/lab221/Molpro/lib'
>> Error in running init
>> mpiexec_lab221: cannot connect to local mpd (/tmp/mpd2.console_lab221);
>> possible causes:
>>   1. no mpd is running on this host
>>   2. an mpd is running but was started without a "console" (-n option)
>> GNUmakefile:51: recipe for target 'init.log' failed
>> make[1]: *** [init.log] Error 1
>> make[1]: Leaving directory '/home/lab221/Molpro/lib'
>> GNUmakefile:74: recipe for target 'lib' failed
>> make: *** [lib] Error 2
>>
>> Any help would be appreciated
>> Thanks in advance
>>
>> Cayo Goncalves
>> Researcher Fellow at LDAM
>> Universidade Federal de Minas Gerais, Brazil
>>
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
>
>
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