<div dir="ltr">I have just noticed that during the compilation I get a warning about missing include directory<div>Warning: Nonexistent include directory "/home/pepe/src/espresso-5.0.99/GPU/..//quark/include"<br>
</div><div>Where can I find this library?</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, Apr 7, 2014 at 12:49 PM, Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
PS Sorry - pardon :<br>
<br>
make -f Makefile.gpu pw-gpu LD_SHARED_FLAGS=-shared<div class="im HOEnZb"><br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<u></u>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<u></u>-=*=-=*=-=*=-=*=-<br>
Ari Paavo Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Institut für Chemie der Universität Zürich, CH-8057 Zürich<br>
Tel: <a href="tel:%2B41%2044%2063%2054%20497" value="+41446354497" target="_blank">+41 44 63 54 497</a> / Mobile: <a href="tel:%2B41%2079%2071%2090%20935" value="+41797190935" target="_blank">+41 79 71 90 935</a><br>
<br>
<br>
On Mon, 7 Apr 2014, PePe wrote:<br>
<br>
</div><div class="HOEnZb"><div class="h5"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I also have a problem with the compilation. I downloaded espresso-5.0.99.tar.gz and QE-GPU-14.03.0.tar.gz, placed GPU directory in espresso main directory (did not apply any patches). Then,<br>
in GPU directory I run:<br>
./configure --disable-parallel --enable-openmp --enable-cuda --with-gpu-arch=sm_35 --with-cuda-dir=$CUDA_HOME --with-magma --with-phigemm<br>
cd ..<br>
make -f Makefile.gpu pw-gpu<br>
<br>
the error I get is as follows:<br>
<br>
cc -O3 -fopenmp -fPIC -z muldefs -o libphigemm.so.2.0 phigemm_auxiliary.o phigemm_env.o phigemm_dgemm.o phigemm_zgemm.o phigemm_dgemm_specialK.o phigemm_zgemm_specialK.o phigemm_cgemm.o<br>
phigemm_sgemm.o -L/usr/local/cuda-5.5/lib64 -lcublas -lcufft -lcudart /home/pepe/src/espresso-5.0.<u></u>99/GPU/..//phiGEMM/lib/<u></u>libphigemm.a -lblas -L/usr/local/cuda-5.5/lib64 -lcublas -lcufft<br>
-lcudart <br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 0 has invalid symbol index 11<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 1 has invalid symbol index 12<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 2 has invalid symbol index 2<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 3 has invalid symbol index 2<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 4 has invalid symbol index 11<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 5 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 6 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 7 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 8 has invalid symbol index 12<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 9 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 10 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 11 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 12 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 13 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 14 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 15 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 16 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 17 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 18 has invalid symbol index 13<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_info): relocation 19 has invalid symbol index 21<br>
/usr/bin/ld: /usr/lib/debug/usr/lib/x86_64-<u></u>linux-gnu/crt1.o(.debug_line): relocation 0 has invalid symbol index 2<br>
/usr/lib/gcc/x86_64-linux-gnu/<u></u>4.6/../../../x86_64-linux-gnu/<u></u>crt1.o: In function `_start':<br>
(.text+0x20): undefined reference to `main'<br>
collect2: ld returned 1 exit status<br>
make[3]: *** [shared] Error 1<br>
make[3]: Leaving directory `/home/pepe/src/espresso-5.0.<u></u>99/phiGEMM/src'<br>
make[2]: *** [phigemm] Error 2<br>
make[2]: Leaving directory `/home/pepe/src/espresso-5.0.<u></u>99/phiGEMM'<br>
make[1]: *** [libphiGEMM] Error 2<br>
make[1]: Leaving directory `/home/pepe/src/espresso-5.0.<u></u>99/GPU/install'<br>
make: *** [libphiGEMM] Error 2<br>
<br>
Can somebody please help me.<br>
<br>
<br>
<br>
On Sun, Apr 6, 2014 at 1:39 AM, 薛诗川 <<a href="mailto:nudt.xueshichuan@gmail.com" target="_blank">nudt.xueshichuan@gmail.com</a>> wrote:<br>
oh sorry .it seems that i got it , is it espresso-5.0.99.tar.gz?<br>
<br>
2014-04-06 15:27 GMT+08:00, 薛诗川 <<a href="mailto:nudt.xueshichuan@gmail.com" target="_blank">nudt.xueshichuan@gmail.com</a>>:<br>
> Thank u professor<br>
> i'll test as soon as possible and tell u the results.<br>
> but the latest version is 5.0.2,right?<br>
> when will 5.1 be released?<br>
><br>
> 2014-04-03 11:18 GMT+08:00, 薛诗川 <<a href="mailto:nudt.xueshichuan@gmail.com" target="_blank">nudt.xueshichuan@gmail.com</a>>:<br>
>> dear all,<br>
>> happy to see that GPU 14.03 has been released, so<br>
>> i tried to compile it for calculation.<br>
>> i just followed the instructions in the README file and added few<br>
>> manual DFLAGS and make.<br>
>> but during the process, it failed with such an error:<br>
>> Fatal error: cannot open mudule file 'mp_bands.mod' for reading.<br>
>> i cannot figure out its reasons.<br>
>> need your help<br>
>> thanks.<br>
>><br>
><br>
<br>
______________________________<u></u>_________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/<u></u>listinfo/pw_forum</a><br>
<br>
<br>
<br>
</blockquote>
</div></div><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br></div>