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Questions on Quantum Espresso

by biubiu
Tags: espresso, quantum
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biubiu
#1
Feb13-13, 03:47 PM
P: 12
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!
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Borek
#2
Feb13-13, 04:05 PM
Admin
Borek's Avatar
P: 23,391
Quote Quote by biubiu View Post
/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
#3
Feb13-13, 05:18 PM
Engineering
Sci Advisor
HW Helper
Thanks
P: 6,957
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
#4
Feb13-13, 06:39 PM
P: 12
Questions on Quantum Espresso

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


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