What are Common Installation Errors with Quantum Espresso on PC?

[biubiu]

Hi,

I'm new to Computational physics. I was trying to install Quantum Espresso under Cygwin on a PC. Running the Makefile resulted in two error messages, which I don't understand:

"
$ make all
test -d bin || mkdir bin
cd install ; make -f extlibs_makefile libiotk
make[1]: Entering directory `/cygdrive/d/espresso-5.0.2/install'
if test ! -d ../S3DE; then \
(gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \
if test -e Makefile_iotk; then \
(cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \
if test -e iotk_config.h; then \
(cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi
cd ../S3DE/iotk/src; make lib+util;
make[2]: Entering directory `/cygdrive/d/espresso-5.0.2/S3DE/iotk/src'
make loclib_only
make[3]: Entering directory `/cygdrive/d/espresso-5.0.2/S3DE/iotk/src'
make[3]: Nothing to be done for `loclib_only'.
make[3]: Leaving directory `/cygdrive/d/espresso-5.0.2/S3DE/iotk/src'
mpif90 -g -o iotk_print_kinds.x iotk_print_kinds.o libiotk.a
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi_f90
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi_f77
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lesmtp
collect2: ld returned 1 exit status
Makefile:203: recipe for target `iotk_print_kinds.x' failed
make[2]: *** [iotk_print_kinds.x] Error 1
make[2]: Leaving directory `/cygdrive/d/espresso-5.0.2/S3DE/iotk/src'
extlibs_makefile:55: recipe for target `libiotk' failed
make[1]: *** [libiotk] Error 2
make[1]: Leaving directory `/cygdrive/d/espresso-5.0.2/install'
Makefile:127: recipe for target `libiotk' failed
make: *** [libiotk] Error 2
"


Anyone can help? Thank you very much!

 

[Borek]

/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi_f90
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi_f77
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lmpi
/usr/lib/gcc/i686-pc-cygwin/4.5.3/../../../../i686-pc-cygwin/bin/ld: cannot find -lesmtp

Have you tried googling for these message? First two hits suggests you are missing some libraries.

It can be some deeper problem, but in my experience whenever there are problems during execution of make googling for error messages points in the right direction.

 

[AlephZero]

The missing libraries probably belong to http://en.wikipedia.org/wiki/Message_Passing_Interface and http://en.wikipedia.org/wiki/Extended_SMTP

so you probably need to install them if you haven't got them already.

 

[biubiu]

Thank you! Borek and AlephZero. It is now installed.

 

[alphy]

Hi there,

As a scientist familiar with Quantum Espresso, I can offer some insight into the error messages you received while trying to install it on your PC.

Firstly, it seems that the installation is trying to compile and link the external libraries needed for Quantum Espresso, but is encountering some issues. Specifically, it cannot find the libraries "mpi_f90", "mpi_f77", "mpi", and "esmtp". These are likely dependencies that need to be installed separately before attempting to install Quantum Espresso.

I would recommend checking the installation instructions for Quantum Espresso and ensuring that all necessary dependencies are installed on your system before attempting to install it again. Additionally, you may need to specify the location of these libraries in the Makefile or provide additional flags during the compilation process.

If you continue to encounter issues, I suggest reaching out to the Quantum Espresso community for further assistance. They may have encountered similar issues and can offer more specific advice.

Best of luck with your installation and your studies in Computational Physics!