Dear Professor Giannozzi, Thanks for the explanation. I re-installed everything from beginning, it works now. I am not sure if it is appropriate to ask about another package GWL here, there is an error when compiling.
make[3]: Entering directory `/lustre/home/pchen/espresso-5.0.2/Modules' make[3]: *** No rule to make target `@iso_c_binding@', needed by `set_signal.o'. Stop. make[3]: Leaving directory `/lustre/home/pchen/espresso-5.0.2/Modules' make[2]: *** [mods] Error 2 ... mpif90 -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 -nomodule -fpp -D__INTEL -D__FFTW -D__MPI -D__PARA -D__SCALAPACK -I../../include -I../../iotk/src -I../../Modules -I../../EE -I../../PHonon/PH -I../../PW/src -I. -c phq_readin.f90 phq_readin.f90(28): error #6580: Name in only-list does not exist. [AMCONV] USE constants, ONLY : amconv ----------------------------^ compilation aborted for phq_readin.f90 (code 1) make[1]: *** [phq_readin.o] Error 1 And there is also a warning when "sh install/makedeps.sh" dspev_drv.o : @elpa1@ error_handler.o : @ifcore@ WARNING: dependencies not found in directory Modules On Sat, Mar 15, 2014 at 10:45 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it>wrote: > On Fri, 2014-03-14 at 15:49 -0500, Peng Chen wrote: > > > The "./configure" process is successful, although there are some error > > messages in the config.log listed below. I am not sure if they are > > relevant > > they aren't > > > there is an error which states "free_mem.f90 is not found". I checked > > that this file exists in the folder PWCOND/src, but not in PW/src. > > if "make" says that that "free_mem.f90 is not found", it is not found. > Either PWCOND/src/free_mem.f90 is not there, or if it is there, the > compiler cannot access it > > > Shall I copy it into PW/src? > > no, its place is PWCOND/src > > P. > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140318/bb770a4b/attachment.html
