Thank you very much for your kind answer. So I could totally neglect the warnings. But how about the DOS problems? The NaN values, as well as the lacking of *.ados and *.stt files？
------------------ 原始邮件 ------------------ >From: Nick Papior Andersen <[email protected]> >Reply-To: >To: 罗慧娟<[email protected]> >Subject: Re: [SIESTA-L] DOS problems with mprop >Date: Sun, 9 Dec 2012 17:26:50 +0100 > Try and compile mprop with the regular ifort command. mprop is not parallel and as such should not be compiled with mpif90. Furthermore, the warning messag, is a warning message. It has no relevance to the executable (in this case). Kind regards Nick 2012/12/9 罗慧娟 < [email protected] > Dear all siesta users, I successfully compiled siesta-3.1. Then I tried to compile mprop. Some warning messages appeared during the compilation of mprop, that is, fpp: warning: cannot remove MPI - not a predefined macro. The whole compiling messages are as follows: /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DMPI -UMPI /export/home/luohj/siesta-3.1/Util/COOP/../../Src/f2kcli.F90 fpp: warning: cannot remove MPI - not a predefined macro /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 m_getopts.f90 /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DMPI -UMPI /export/home/luohj/siesta-3.1/Util/COOP/../../Src/precision.F fpp: warning: cannot remove MPI - not a predefined macro /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 subs.f90 /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 units.f90 /export/mpich1.2.7-intel/bin/mpif90 -c -g -O2 sys_local.f90 /export/mpich1.2.7-intel/bin/mpif90
