[molpro-user] Installation problem with make command

Cayo Emilio cayoquimica at gmail.com
Tue Feb 23 15:35:06 CET 2016

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/

machine type recognized as x86_64 (Generic 64-bit)
kernel recognized as Linux

user request compiler ifort
Intel Fortran Compiler, Version 16.0.2

user request compiler icc
Intel C compiler, Version 16.0.2

Use BLAS library - Intel 64-bit Math Kernel Library (MKL) for Linux
BLASLIB=-L/opt/intel/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_sequential

Enter BLAS linking flags or [Enter] for above

-Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker
-Xlinker -rpath -Xlinker
-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


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
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