<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><SPAN style="RIGHT: auto">
<DIV style="RIGHT: auto" id=yiv1601743235>
<DIV style="RIGHT: auto">
<DIV style="BACKGROUND-COLOR: #fff; FONT-FAMILY: times new roman, new york, times, serif; COLOR: #000; FONT-SIZE: 12pt">
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto">In addition to composerxe-2011.2.137, I tried to compile the latest version of the code using l_cprof_p_11.1.073_intel64. The code is successfully comiled using l_cprof_p_11.1.073_intel64, mpich-1.2.7p1, fftw-2.1.5 and -DFFTW2. But, there are several errors when I use l_cprof_p_11.1.073_intel64, mpich-1.2.7p1, fftw-3.3.3 and -DFFTW3. This is in the case that there is not such a problem when I use composerxe-2011.2.137, mpich-1.2.7p1, fftw-3.3.3 and -DFFTW3.<BR></SPAN></DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto"><VAR id=yui-ie-cursor></VAR></SPAN> </DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto">>Hi Peter,</SPAN></DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto">>Thank you for your comments.</SPAN></DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto">>Yes, I installed the latest version of the fftw, fftw-3.3.2, and compiled successfully the WINE2k_12.1 using the ->DFFTW3 too by giving the right path:</SPAN></DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto">>RP RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 ->L/opt/local/fftw3/lib -lfftw3_mpi -lfftw3 $(R_LIBS)</SPAN></DIV>
<DIV style="RIGHT: auto"><SPAN style="RIGHT: auto"> </SPAN></DIV>
<DIV style="RIGHT: auto"> </DIV>
<DIV style="RIGHT: auto"><BR style="RIGHT: auto"> </DIV>
<DIV style="FONT-FAMILY: times, serif; FONT-SIZE: 12pt">
<DIV style="FONT-FAMILY: times, serif; FONT-SIZE: 12pt">
<DIV style="RIGHT: auto" dir=ltr><FONT size=2 face=Arial>
<HR SIZE=1>
<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Peter Blaha <pblaha@theochem.tuwien.ac.at><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Thursday, July 26, 2012 12:26 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1<BR></FONT></DIV><BR>Or by putting the correct path and library-names into the R_LIBS field:<BR><BR> -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw<BR><BR>---> -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3<BR><BR>PS: For best performance on Intel-systems in sequential mode, see the comment in<BR>the UG Chapter 11.1.1 about the mkl interface to fftw2xf (or fftw3xf)<BR><BR>Am 25.07.2012 17:42, schrieb Saeid Jalali:<BR>> Hi Laurence,<BR>> Thank you for your
prompt reply.<BR>> The problem is fixed by changing the -DFFTW3 to -DFFTW2!<BR>> How did you find that?<BR></DIV></DIV></DIV></DIV></DIV></SPAN>
<DIV style="RIGHT: auto"><BR style="RIGHT: auto"> </DIV>
<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt">
<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt">
<DIV style="RIGHT: auto" dir=ltr><FONT size=2 face=Arial>
<DIV style="BORDER-BOTTOM: #ccc 1px solid; BORDER-LEFT: #ccc 1px solid; PADDING-BOTTOM: 0px; LINE-HEIGHT: 0; MARGIN: 5px 0px; PADDING-LEFT: 0px; PADDING-RIGHT: 0px; HEIGHT: 0px; FONT-SIZE: 0px; BORDER-TOP: #ccc 1px solid; BORDER-RIGHT: #ccc 1px solid; PADDING-TOP: 0px" class=hr contentEditable=false readonly="true"></DIV><B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Laurence Marks <L-marks@northwestern.edu><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Wednesday, July 25, 2012 8:14 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1<BR></FONT></DIV><BR>It is in the userguide/release notes<BR><BR>On Wed, Jul 25, 2012 at 10:42 AM, Saeid Jalali <<A href="mailto:s_jalali_a@yahoo.com" ymailto="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</A>>
wrote:<BR>> Hi Laurence,<BR>> Thank you for your prompt reply.<BR>> The problem is fixed by changing the -DFFTW3 to -DFFTW2!<BR>> How did you find that?<BR>><BR>> Sincerely yours,<BR>> S. Jalali<BR>> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<BR>> Saeid Jalali Asadabadi,<BR>> Department of Physics, Faculty of Science,<BR>> University of Isfahan (UI), Hezar Gerib Avenue,<BR>> 81744 Isfahan, Iran.<BR>> Phones:<BR>> Dep. of Phys. :+98-0311-793 2435<BR>> Office :+98-0311-793 4776<BR>> Fax No. :+98-0311-793 4800<BR>> E-mail :<A href="mailto:sjalali@phys.ui.ac.ir" ymailto="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</A><BR>> :<A
href="mailto:sjalali@sci.ui.ac.ir" ymailto="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</A><BR>> :<A href="mailto:sjalali@mailaps.org" ymailto="mailto:sjalali@mailaps.org">sjalali@mailaps.org</A><BR>> :<A href="mailto:saeid.jalali.asadabadi@gmail.com" ymailto="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</A><BR>> :<A href="mailto:s_jalali_a@yahoo.com" ymailto="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</A><BR>> Homepage :http://sci.ui.ac.ir/~sjalali<BR>> www :http://www.ui.ac.ir<BR>>
/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<BR>><BR>> ________________________________<BR>> From: Laurence Marks <<A href="mailto:L-marks@northwestern.edu" ymailto="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</A>><BR>> To: A Mailing list for WIEN2k users <<A href="mailto:wien@zeus.theochem.tuwien.ac.at" ymailto="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>><BR>> Sent: Wednesday, July 25, 2012 7:52 PM<BR>> Subject: Re: [Wien] SRC_lapw0/compile.msg in WIEN2k_12.1<BR>><BR>> Did you use -DFFTW2 in the parallel compile options? The first time<BR>> around I forgot, but when I added this there were no problems.<BR>><BR>> On Wed, Jul 25, 2012 at 10:19 AM, Saeid Jalali <<A href="mailto:s_jalali_a@yahoo.com" ymailto="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</A>> wrote:<BR>>> Hi Peter,<BR>>> I compiled the new version of the code,
WIEN2k_12.1, using mpich-1.2.7p1,<BR>>> fftw-2.1.5, intel composerxe-2011.2.137.<BR>>> I got the following error, as can be seen at the end of the<BR>>> SRC_lapw0/compile.msg file which is attached to this email, ONLY in the<BR>>> lapw0:<BR>>> fft_modules.o: In function `fftw_parallel_mp_prepare_parallel_ffts_':<BR>>> fft_modules.F:(.text+0x43): undefined reference to `fftw_mpi_init'<BR>>> fft_modules.F:(.text+0xfe): undefined reference to<BR>>> `fftw_mpi_local_size_3d_f03'<BR>>> fft_modules.F:(.text+0x10f): undefined reference to `fftw_alloc_complex'<BR>>> fft_modules.o: In function `fftw_parallel_mp_c3fft_':<BR>>> fft_modules.F:(.text+0xcf0): undefined reference to `fftw_mpi_execute_dft'<BR>>> fft_modules.F:(.text+0x198b): undefined reference to<BR>>> `fftw_mpi_execute_dft'<BR>>> fft_modules.F:(.text+0x3639): undefined reference to<BR>>>
`fftw_mpi_plan_dft_3d_f03'<BR>>> fft_modules.F:(.text+0x42e9): undefined reference to<BR>>> `fftw_mpi_plan_dft_3d_f03'<BR>>> make[1]: *** [lapw0_mpi] Error 1<BR>>> make[1]: Leaving directory `/usr/local/codes/wien2k/v12.1/SRC_lapw0'<BR>>> make: *** [para] Error 2<BR>>><BR>>> The SRC_x/compile.msg files are free of any errors apart from x=lapw0.<BR>>> There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1<BR>>> is<BR>>> compiled and the whole of the code works smoothly.<BR>>> Is something changed in the lapw0 of the new version so that we must<BR>>> consider additional tasks for compiling the mpi version of the code?<BR></DIV></DIV></div></body></html>