[Pw_forum] EXX error

Amene Nouri a.nourmohammadi at yahoo.com
Thu Jul 29 13:19:17 CEST 2010


Hello all
 
after "make clean" I added the option to -DEXX to DFLAGS and the " make all "
I recieved the followig warrnings during compile:

..................................................................................................
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
iotk_stream.spp(54): warning #6843: 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)
-------------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
-------------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
----------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
----------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
-------------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
-------------------------------------------------^
iotk_stream.spp(54): warning #6843: 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)
---------------------------------------------------^
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
: warning #5117: Bad # preprocessor line
ar: creating libiotk.a
ar: creating libqemod.a
ar: creating mglib.a
ar: creating clib.a
ar: creating flib.a
ar: creating ptools.a
ar: creating libee.a
ar: creating libpw.a
ar: creating libph.a
ar: creating libcp.a
ar: creating minpacklib.a
ar: creating libpw4gww.a
..................................................................................................
The run the rests the results were not very different from resources. 
 
But the example EXX-example: it did not run
for example the output   was:

................................................................
     Program PWSCF v.4.2        starts on 29Jul2010 at 12:51:46 
     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please acknowledge
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #        19
      reading namelist system 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...
......................................................................................................
 
Another problem is that I want to use openmp.
I set PARA-PREFIX env OMP_NUM_THREADS=2 as is in the userguid, but just one of cores is used.
What the problem is?



      
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