Problems have just been solved. :-)<br><br>I just export the libs of C compiler and X11, and recompile it successfully.<br><br><div class="gmail_quote">On Wed, Nov 11, 2009 at 3:55 PM, <span dir="ltr"><<a href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a>></span> wrote:<br>
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Today's Topics:<br>
<br>
1. phonon calculations - parallelization over modes<br>
(Nichols A. Romero)<br>
2. Installation error on Xcrysden-1.5.21-src-all (Jiaye Li)<br>
<br>
<br>
----------------------------------------------------------------------<br>
<br>
Message: 1<br>
Date: Tue, 10 Nov 2009 19:20:24 -0600<br>
From: "Nichols A. Romero" <<a href="mailto:naromero@gmail.com">naromero@gmail.com</a>><br>
Subject: [Pw_forum] phonon calculations - parallelization over modes<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Message-ID:<br>
<<a href="mailto:6ac064b60911101720w520bb9a4x415fec24181a01a1@mail.gmail.com">6ac064b60911101720w520bb9a4x415fec24181a01a1@mail.gmail.com</a>><br>
Content-Type: text/plain; charset="iso-8859-1"<br>
<br>
Hi,<br>
<br>
Are QE phonon calculations parallel over modes (which should be<br>
embarrassingly parallel) + q-points?<br>
<br>
Also, on a completely different note, is there any way to search the mail<br>
archive?<br>
<a href="http://www.democritos.it/pipermail/pw_forum/" target="_blank">http://www.democritos.it/pipermail/pw_forum/</a><br>
<br>
--<br>
Nichols A. Romero, Ph.D.<br>
Argonne Leadership Computing Facility<br>
Argonne, IL 60490<br>
(630) 252-3441 (O)<br>
(630) 470-0462 (C)<br>
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Message: 2<br>
Date: Wed, 11 Nov 2009 11:30:51 +0800<br>
From: Jiaye Li <<a href="mailto:jameslipd@gmail.com">jameslipd@gmail.com</a>><br>
Subject: [Pw_forum] Installation error on Xcrysden-1.5.21-src-all<br>
To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>
Message-ID:<br>
<<a href="mailto:b5d787260911101930v40346af1qf8fa47feb084fffa@mail.gmail.com">b5d787260911101930v40346af1qf8fa47feb084fffa@mail.gmail.com</a>><br>
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<br>
Dear all<br>
<br>
I tried to install the Xcrysden-1.5.21-src-all source code on my fc11 PC. I<br>
have already installed ifort10 and icc10. libXmu-devel-1.0.4-2.fc11.i586.rpm<br>
is also installed correctly. When I type 'make all' in the root directory of<br>
Xcrysden source, tcl and tk went on smoothly, but C code compiling reported<br>
the error. Please see the follows:<br>
<br>
<br>
#------------------------------#<br>
# #<br>
# Compiling XCRYSDEN C-code #<br>
# #<br>
#------------------------------#<br>
<br>
cd C; make "TOPDIR=/home/jy/Download/XCrySDen-1.5.21-src-all" compile<br>
make[1]: Entering directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make TOPDIR=/home/jy/Download/XCrySDen-1.5.21-src-all<br>
make[2]: Entering directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
gcc -static -ansi -funroll-loops -DUSE_FONTS detnsplit.o xcAppInit.o<br>
xcballstick.o xcviewport.o xcLabels.o vectors.o xcDisplayFunc2.o xcAtomAdd.o<br>
loadValues.o hpsort.o auxilproc.o xcdebug.o 3D.o xcDisplayFunc.o readstrf.o<br>
mxmymz.o remakestr.o xcSelect.o readisodata.o lighting.o xcGLparam.o<br>
colorplane.o isorender.o polygonise.o polygonise_auxil.o xcIsoSurf.o<br>
voronoi.o xcBz.o xcSuperCell.o xcPrimitives.o setOpenGLState.o memory.o<br>
isoMalloc.o isoInterpolate.o readPlvertex.o splineInt.o paraSize.o isoline.o<br>
xcIsoSpaceSel.o cells.o xcWigner.o xcTogl.o datagrid.o sInfo.o<br>
xcIsoDataGrid.o xcColorScheme.o xcReadXSF.o xcF3toI4.o xcFractCoor.o<br>
signal.o MarchCubes.o isosurf.o xcMolSurf.o cryNewContext.o fs.o<br>
cryDispFunc.o cryDispFuncMultiFS.o crySetProj.o crySurfArgs.o crySurf.o<br>
cryTransform.o cryClip.o cryTogl.o forces.o xcForces.o gl2psPrintTogl.o<br>
ppmPrintTogl.o lcasi.o lcasif.o xcFont.o fog.o writeXSF.o hbonds.o<br>
xcHBonds.o linear.o realTimeMovie.o getline.o togl.o gl2ps.o sgiRasterFont.o<br>
sgiAux.o \<br>
-o xcrys<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libtk8.5.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libtcl8.5.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libGLU.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libGL.a<br>
-L/usr/lib/X11/xdm/ -lXmu -lX11 -lXext -lpthread -lm -ldl<br>
/usr/bin/ld: cannot find -lXmu<br>
collect2: ld returned 1 exit status<br>
make[2]: *** [xcrys] Error 1<br>
make[2]: Leaving directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make[1]: *** [compile] Error 2<br>
make[1]: Leaving directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make: *** [src-C] Error 2<br>
<br>
<br>
Considering that the the X11 lib may not be found so I made some changes to<br>
the Make.sys, where I replaced the line "X_LIB = -L/usr/lib/X11/xdm<br>
-lXmu -lX11 -lXext -lpthread" with "X_LIB =<br>
/usr/lib/X11/xdm/libXdmGreet.so -lXmu -lX11 -lXext -lpthread". Because I<br>
installed X11 already.<br>
<br>
Then type "make all", again. But error occurs again:<br>
<br>
#------------------------------#<br>
# #<br>
# Compiling XCRYSDEN C-code #<br>
# #<br>
#------------------------------#<br>
<br>
cd C; make "TOPDIR=/home/jy/Download/XCrySDen-1.5.21-src-all" compile<br>
make[1]: Entering directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make TOPDIR=/home/jy/Download/XCrySDen-1.5.21-src-all<br>
make[2]: Entering directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
gcc -static -ansi -funroll-loops -DUSE_FONTS detnsplit.o xcAppInit.o<br>
xcballstick.o xcviewport.o xcLabels.o vectors.o xcDisplayFunc2.o xcAtomAdd.o<br>
loadValues.o hpsort.o auxilproc.o xcdebug.o 3D.o xcDisplayFunc.o readstrf.o<br>
mxmymz.o remakestr.o xcSelect.o readisodata.o lighting.o xcGLparam.o<br>
colorplane.o isorender.o polygonise.o polygonise_auxil.o xcIsoSurf.o<br>
voronoi.o xcBz.o xcSuperCell.o xcPrimitives.o setOpenGLState.o memory.o<br>
isoMalloc.o isoInterpolate.o readPlvertex.o splineInt.o paraSize.o isoline.o<br>
xcIsoSpaceSel.o cells.o xcWigner.o xcTogl.o datagrid.o sInfo.o<br>
xcIsoDataGrid.o xcColorScheme.o xcReadXSF.o xcF3toI4.o xcFractCoor.o<br>
signal.o MarchCubes.o isosurf.o xcMolSurf.o cryNewContext.o fs.o<br>
cryDispFunc.o cryDispFuncMultiFS.o crySetProj.o crySurfArgs.o crySurf.o<br>
cryTransform.o cryClip.o cryTogl.o forces.o xcForces.o gl2psPrintTogl.o<br>
ppmPrintTogl.o lcasi.o lcasif.o xcFont.o fog.o writeXSF.o hbonds.o<br>
xcHBonds.o linear.o realTimeMovie.o getline.o togl.o gl2ps.o sgiRasterFont.o<br>
sgiAux.o \<br>
-o xcrys<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libtk8.5.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libtcl8.5.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libGLU.a<br>
/home/jy/Download/XCrySDen-1.5.21-src-all/external/lib/libGL.a<br>
/usr/lib/X11/xdm/libXdmGreet.so -lXmu -lX11 -lXext -lpthread -lm -ldl<br>
/usr/bin/ld: attempted static link of dynamic object<br>
`/usr/lib/X11/xdm/libXdmGreet.so'<br>
collect2: ld returned 1 exit status<br>
make[2]: *** [xcrys] Error 1<br>
make[2]: Leaving directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make[1]: *** [compile] Error 2<br>
make[1]: Leaving directory `/home/jy/Download/XCrySDen-1.5.21-src-all/C'<br>
make: *** [src-C] Error 2<br>
<br>
<br>
At this time, it seems hard for me to find out the specific error for the<br>
compiling. What's wrong with the X11 lib or some other libs? Thank you in<br>
advance.<br>
<br>
BTW, the Make.sys file is attached.<br>
<br>
--<br>
Sincerely yours<br>
<br>
Jiaye Li<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Sincerely yours<br><br>Jiaye Li<br><br>