<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hello all</DIV>
<DIV> </DIV>
<DIV>after "make clean" I added the option to -DEXX to DFLAGS and the " make all "<BR>I recieved the followig warrnings during compile:</DIV>
<DIV><BR>..................................................................................................<BR>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine iotk_stream_read_LOGICAL1(unit,header,val,setpos,getpos,noval,ierr)<BR>-------------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine iotk_stream_read_INTEGER1(unit,header,val,setpos,getpos,noval,ierr)<BR>-------------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine iotk_stream_read_REAL1(unit,header,val,setpos,getpos,noval,ierr)<BR>----------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit
value. [VAL]<BR>subroutine iotk_stream_read_REAL2(unit,header,val,setpos,getpos,noval,ierr)<BR>----------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine iotk_stream_read_COMPLEX1(unit,header,val,setpos,getpos,noval,ierr)<BR>-------------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine iotk_stream_read_COMPLEX2(unit,header,val,setpos,getpos,noval,ierr)<BR>-------------------------------------------------^<BR>iotk_stream.spp(54): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [VAL]<BR>subroutine
iotk_stream_read_CHARACTER1(unit,header,val,setpos,getpos,noval,ierr)<BR>---------------------------------------------------^<BR>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>: warning #5117: Bad # preprocessor line</DIV>
<DIV>ar: creating libiotk.a<BR>ar: creating libqemod.a<BR>ar: creating mglib.a<BR>ar: creating clib.a<BR>ar: creating flib.a<BR>ar: creating ptools.a<BR>ar: creating libee.a<BR>ar: creating libpw.a<BR>ar: creating libph.a<BR>ar: creating libcp.a<BR>ar: creating minpacklib.a<BR>ar: creating libpw4gww.a<BR>..................................................................................................</DIV>
<DIV>The run the rests the results were not very different from resources. </DIV>
<DIV> </DIV>
<DIV>But the example EXX-example: it did not run<BR>for example the output was:</DIV>
<DIV><BR>................................................................</DIV>
<DIV> Program PWSCF v.4.2 starts on 29Jul2010 at 12:51:46 </DIV>
<DIV> This program is part of the open-source Quantum ESPRESSO suite<BR> for quantum simulation of materials; please acknowledge<BR> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<BR> URL <A href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</A>", <BR> in publications or presentations arising from this work. More details at<BR> <A href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</A></DIV>
<DIV> Current dimensions of program PWSCF are:<BR> Max number of different atomic species (ntypx) = 10<BR> Max number of k-points (npk) = 40000<BR> Max angular momentum in pseudopotentials (lmaxx) = 3<BR> Waiting for input...</DIV>
<DIV> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> from read_namelists : error # 19<BR> reading namelist system <BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> stopping ...</DIV>
<DIV>......................................................................................................</DIV>
<DIV> </DIV>
<DIV>Another problem is that I want to use openmp.<BR>I set PARA-PREFIX env OMP_NUM_THREADS=2 as is in the userguid, but just one of cores is used.</DIV>
<DIV>What the problem is?<BR></DIV></td></tr></table><br>