Dear Elena, Thank you very much for you code. I am trying. WANG Riping 2012.9.28 <div class="gmail_quote">On 28 September 2012 09:51, Riping Wang <<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>> wrote: <blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"> Dear Jorg, Thank you very much for your help. I still have problem in installation in gfortran. But I am continuing to try. WANG Riping 2012.9.27<div> <div> <div class="gmail_quote">On 26 September 2012 18:53, Alin M Elena <<a href="mailto:alinm...@gmail.com" target="_blank">alinm...@gmail.com</a>> wrote: <blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"> <div style="font-family:'DejaVu Sans';font-size:10.5pt;font-weight:400;font-style:normal"> Hi, it depends very much on what you decide to install... I can share with you my arch file this is for mvapich2 wih gcc (you need a recent version) and intel-mkl... CC = gcc CPP = FC = mpif90 LD = mpif90 AR = ar -r CPPFLAGS = DFLAGS = -D__GFORTRAN -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTMKL -D__LIBINT FCFLAGS = -I$(MPI_ROOT)/include -O3 -ffree-form $(DFLAGS) -ffree-line-length-none LDFLAGS = $(FCFLAGS) LIBS = -L$MKLROOT/lib/em64t -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 \ -L/ichec/home/users/alin/playground/cp2kpink_libint/libint_tools/lib -lderiv -lint -lstdc++ OBJECTS_ARCHITECTURE = machine_gfortran.o if you do not want libint you can safely remove -D__LIBINT and let the last line out. of course you may decide to be more aggressive in optimisation too Alin<div><div> On Wednesday 26 Sep 2012 17:51:49 Riping Wang wrote: Dear developers, Compiler gfortran + mpich2 + scalapack is convenient to install in linux, as just with "yum install". But there is no such kind of selection in installation arch. There is only two series selection for gfortran: sdbg and sopt at present. Any one can give me hints? A lot of thanks. WANG Riping 2102.9.26 -- ****************************************************************************** WANG Riping Ph.D student, Institute for Study of the Earth's Interior,Okayama University, 827 Yamada, Misasa, Tottori-ken 682-0193, Japan Tel: <a href="tel:%2B81-858-43-3739" value="+81858433739" target="_blank">+81-858-43-3739</a>(Office), <a href="tel:%2B81-858-43-1215" value="+81858431215" target="_blank">+81-858-43-1215</a>(Inst) E-mail: <a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a> ****************************************************************************** </div></div><div>-- You received this message because you are subscribed to the Google Groups "cp2k" group. To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>. For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>. </div>-- Without Questions there are no Answers! ______________________________________________________________________ Alin Marin ELENA Advanced Molecular Simulation Research Laboratory School of Physics, University College Dublin ---- Ardionsamblú Móilíneach Saotharlann Taighde Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath ----------------------------------------------------------------------------------- <a href="http://alin.elenaworld.net" target="_blank">http://alin.elenaworld.net</a> ______________________________________________________________________</div><div><div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>. To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>. For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>. </div></div></blockquote></div> -- <div>****************************************************************************** WANG Riping Ph.D student, </div> <div>Institute for Study of the Earth's Interior,Okayama University, 827 Yamada, Misasa, Tottori-ken 682-0193, Japan Tel: <a href="tel:%2B81-858-43-3739" value="+81858433739" target="_blank">+81-858-43-3739</a>(Office), <a href="tel:%2B81-858-43-1215" value="+81858431215" target="_blank">+81-858-43-1215</a>(Inst)</div> <div>E-mail: <a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a> ****************************************************************************** </div> </div></div></blockquote></div> -- <div>****************************************************************************** WANG Riping Ph.D student, </div> <div>Institute for Study of the Earth's Interior,Okayama University, 827 Yamada, Misasa, Tottori-ken 682-0193, Japan Tel: <a href="tel:%2B81-858-43-3739" value="+81858433739" target="_blank">+81-858-43-3739</a>(Office), <a href="tel:%2B81-858-43-1215" value="+81858431215" target="_blank">+81-858-43-1215</a>(Inst)</div> <div>E-mail: <a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a> ****************************************************************************** </div>