[Pw_forum] Error in Espresso post-installation Test examples

[D.A. Tompsett]

Dear Alex and All,
                 thanks for the help. I understand better what the 
"read_namelists : error" is now. I am using mpif90 for my compiler on a 
unix platform.

I paste here one of the .in files (si.band.cg.in) which looks OK to me:
 &control
    calculation='bands'
    pseudo_dir = '/home/dat36/Programs/Espresso/espresso-4.0.3/pseudo/',
    outdir='/home/dat36/Programs/Espresso/espresso-4.0.3/TestJunk/',
    prefix='silicon'
 /
 &system
    ibrav=  2, celldm(1) =10.20, nat=  2, ntyp= 1,
    ecutwfc =18.0, nbnd = 8,
 /
 &electrons
    diagonalization='cg'
 /
ATOMIC_SPECIES
 Si  28.086  Si.vbc.UPF
ATOMIC_POSITIONS
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS
 28
   0.0 0.0 0.0 1.0
   0.0 0.0 0.1 1.0
   0.0 0.0 0.2 1.0
   0.0 0.0 0.3 1.0
   0.0 0.0 0.4 1.0
   0.0 0.0 0.5 1.0
   0.0 0.0 0.6 1.0
   0.0 0.0 0.7 1.0
   0.0 0.0 0.8 1.0
   0.0 0.0 0.9 1.0
   0.0 0.0 1.0 1.0
   0.0 0.0 0.0 1.0
   0.0 0.1 0.1 1.0
   0.0 0.2 0.2 1.0
   0.0 0.3 0.3 1.0
   0.0 0.4 0.4 1.0
   0.0 0.5 0.5 1.0
   0.0 0.6 0.6 1.0
   0.0 0.7 0.7 1.0
   0.0 0.8 0.8 1.0
   0.0 0.9 0.9 1.0
   0.0 1.0 1.0 1.0
   0.0 0.0 0.0 1.0
   0.1 0.1 0.1 1.0
   0.2 0.2 0.2 1.0
   0.3 0.3 0.3 1.0
   0.4 0.4 0.4 1.0
   0.5 0.5 0.5 1.0


I also paste below all of the warnings sent to stderr during the compile. I 
am not sure if they are related to my problem:

fortcom: Warning: iotk_stream.spp, line 54: A dummy argument with an 
explicit INTENT(OUT) declaration is not given an explicit value. [VAL] 
subroutine 
iotk_stream_read_LOGICAL1(unit,header,val,setpos,getpos,noval,ierr) 
-------------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_INTEGER1(unit,header,val,setpos,getpos,noval,ierr) 
-------------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_REAL1(unit,header,val,setpos,getpos,noval,ierr) 
----------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_REAL2(unit,header,val,setpos,getpos,noval,ierr) 
----------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_COMPLEX1(unit,header,val,setpos,getpos,noval,ierr) 
-------------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_COMPLEX2(unit,header,val,setpos,getpos,noval,ierr) 
-------------------------------------------------^ fortcom: Warning: 
iotk_stream.spp, line 54: A dummy argument with an explicit INTENT(OUT) 
declaration is not given an explicit value. [VAL] subroutine 
iotk_stream_read_CHARACTER1(unit,header,val,setpos,getpos,noval,ierr) 
---------------------------------------------------^ ar: creating libiotk.a 
fftw.c(27449): warning #188: enumerated type mixed with another type
  	  EXPECT_INT(dir);
  	  ^

fftw.c(27450): warning #188: enumerated type mixed with another type
  	  EXPECT_INT(type);


Please let me know if you can see how I might fix this eg. by altering the 
input file to make the namelist reader happy.

Thanks for any help,
David.



On Nov 1 2008, Axel Kohlmeyer wrote:

>On Sat, 1 Nov 2008, D.A. Tompsett wrote:
>
> DT> Dear Ian and All, DT> below is the input file. It is from directory 
> example01 and every DT> calculation in it fails with the same message: 
> read_namelists : error
>
>david,
>this looks like your compiler supports only a specific format
>of namelists, that is different from what the more frequently
>used compilers implement. what compiler/platform are you running on?
>
>the example scripts are regularly tested on a significant number of
>platforms. 
>
>a second possibility is that you have something that creates additional
>output in the heredocs generated by the script. please have a look at
>the *.in files in the results directory and see, if there is something 
>odd, e.g. where the original script had a variable.
>
>
>cheers,
>   axel.
>
>DT> 
>DT> Please let me know if you can see what is wrong.
>DT> 
>DT> Thanks,
>DT> David.
>DT> 
>
>

-- 
David A. Tompsett
Quantum Matter Group
Cavendish Laboratory
J. J. Thomson Avenue
Cambridge CB3 0HE
U.K.
Tel: +44 7907 566351 (mobile)
Fax: +44 1223 337351
http://www-qm.phy.cam.ac.uk/