[Pw_forum] Error in Espresso post-installation Test examples

[Axel Kohlmeyer]

On Sat, 1 Nov 2008, D.A. Tompsett wrote:

DT> Dear Alex and All,
DT>          I have tried to get some more info on my compiler.
DT> I did this by running "module list" in my login environment:
DT> Currently Loaded Modulefiles:
DT>   1) dot                          8) intel/fce/9.1.041
DT>   2) torque                       9) infinipath/mpi/2.2
DT>   3) moab                        10) infinipath/openfabrics/2.2
DT>   4) gold/2.1.6.0                11) infinipath/core/2.2
DT>   5) intel/mkl/9.0.018           12) mpiexec/0.82
DT>   6) intel/idbe/9.1.046          13) default-infinipath
DT>   7) intel/cce/9.1.046
DT> 
DT> I think this indicates that my compiler is intel fortran 9.1.041.

could be, but need not be. you still may have a different fortran
compiler (gfortran, g95) embedded in your mpif90. are you seeing 
the same problems, when you compile a serial version?

what is the F90 definition in your make.sys gfortran or ifort?

DT> 
DT> Also the output from "uname -a" is: Linux bindloe04 
DT> 2.6.9-67.0.4.EL_lustre.1.6.4.3smp #1 SMP Sun Feb 17 08:05:22 EST 2008 
DT> x86_64 x86_64 x86_64 GNU/Linux
DT> 
DT> I hope that makes it clearer.

unfortunately, no. this makes both the compiler warnings and
the problems reading input files very mysterious. i have the
same compiler on my desktop - only one patchlevel old - and 
i see neither of the two problems that you encounter.

you make sys is the one created from configure?
and you run 'make clean' after all new runs of configure
or changing of compiler options? right?

cheers,
   axel.

DT> 
DT> Thanks again,
DT> David.
DT> 
DT> On Nov 1 2008, Axel Kohlmeyer wrote:
DT> 
DT> >On Sat, 1 Nov 2008, D.A. Tompsett wrote:
DT> >
DT> > DT> Dear Alex and All, DT> thanks for the help. I understand better what 
DT> > the DT> "read_namelists : error" is now. I am using mpif90 for my 
DT> > compiler on a unix DT> platform.
DT> >
DT> >sorry, but this is like answering "i have a red sedan car" when being 
DT> >asked about model and make. what _kind_ of unix and what compiler vendor
DT> >and version do you have. mpif90 is usually a wrapper and can "contain"
DT> >any compiler.
DT> >
DT> >try running "mpif90 -v"  and/or "mpif90 -showme" to get some hints of 
DT> >the compiler and send in the output.
DT> >and try running "uname -a" to get some info about the kind of unix.
DT> >
DT> >thanks,
DT> >   axel.
DT> >
DT> >
DT> > [...] DT> I also paste below all of the warnings sent to stderr during 
DT> > the compile. I DT> am not sure if they are related to my problem: DT> DT> 
DT> > fortcom: Warning: iotk_stream.spp, line 54: A dummy argument with an DT> 
DT> > explicit INTENT(OUT) declaration is not given an explicit value. [VAL] 
DT> > DT> subroutine DT> 
DT> > iotk_stream_read_LOGICAL1(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > -------------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_INTEGER1(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > -------------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_REAL1(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > ----------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_REAL2(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > ----------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_COMPLEX1(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > -------------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_COMPLEX2(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > -------------------------------------------------^ fortcom: Warning: DT> 
DT> > iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
DT> > DT> declaration is not given an explicit value. [VAL] subroutine DT> 
DT> > iotk_stream_read_CHARACTER1(unit,header,val,setpos,getpos,noval,ierr) DT> 
DT> > ---------------------------------------------------^ ar: creating 
DT> > libiotk.a DT> fftw.c(27449): warning #188: enumerated type mixed with 
DT> > another type DT> EXPECT_INT(dir); DT> ^ DT> DT> fftw.c(27450): warning 
DT> > #188: enumerated type mixed with another type DT> EXPECT_INT(type); DT> 
DT> > DT> DT> Please let me know if you can see how I might fix this eg. by 
DT> > altering the DT> input file to make the namelist reader happy. DT> DT> 
DT> > Thanks for any help, DT> David. DT>
DT> >
DT> >
DT> 
DT> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.