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<body class='hmmessage'><div dir='ltr'>Dear Molpro Experts,<BR>
<BR>
I tried to configure and compile MOLPRO 2012.1.2 source code with the DMRG Block code. I used intel compiler 2011_sp1.10.319 (Version 12.1.4.319 Build 20120410) and issued: <BR>
<FONT color=#2672ec>./configure -openmp -ifort -icc -blas -i8 -Block</FONT><BR>
<BR>
The prompt returned:<BR>
<FONT color=#2672ec>machine type recognized as x86_64 (Generic 64-bit)<BR>kernel recognized as Linux</FONT><BR>
<FONT color=#2672ec>user request compiler ifort<BR>Intel Fortran Compiler, Version 12.1.4<BR>FC=/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/ifort</FONT><BR>
<FONT color=#2672ec>user request compiler icc<BR>Intel C compiler, Version 12.1.4<BR>CC=/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/icc</FONT><BR>
<FONT color=#2672ec>BLASLIB=-L/opt/intel/composer_xe_2011_sp1.10.319/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core</FONT><BR>
<FONT color=#2672ec>......</FONT><BR>
<FONT color=#2672ec></FONT> <BR>
The Block-0.9.6 was downloaded successfully and compiled automatically with:<BR>
<FONT color=#2672ec>make library MOLPRO=yes BOOSTINCLUDE=/temp/molpro2012.1.2.block/Molpro/src/boost-install/include OPENMP=yes USE_MPI=no CXX='/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/icpc'<BR></FONT><BR>
but finally the configure script returned error messages as:<BR>
<FONT color=#2672ec>unable to link with parse object using:</FONT><BR>
<FONT color=#2672ec>/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/ifort -i8 -r8 -pc64 -auto -vec-report0 -warn nousage -cxxlib -openmp -O0 -L/temp/molpro2012.1.2.block/Molpro/src/Block-0.9.6 -lqcdmrg -L/temp/molpro2012.1.2.block/Molpro/src/Block-0.9.6/newmat10 -lnewmat -lpthread /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_system.a /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_thread.a /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_filesystem.a /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_serialization.a -lrt</FONT><BR>
<FONT color=#2672ec></FONT> <BR>
<FONT color=#2672ec>Please check the compiler is working, flags are correct and all libraries are present</FONT><BR>
<FONT color=#2672ec></FONT> <BR>
<FONT color=#2672ec>failed to determine PARSE</FONT><BR>
<FONT color=#2672ec></FONT> <BR>
<FONT color=#2672ec>Result so far of configure written to CONFIG.errout<BR><BR></FONT>
However as I checked the libraries, all of the above-mentioned lib*.a were present:<BR>
<FONT color=#2672ec>-rw-r--r-- 1 root root 45223678 2013-09-27 18:49 /temp/molpro2012.1.2.block/Molpro/src/Block-0.9.6/libqcdmrg.a</FONT><BR>
<FONT color=#2672ec>-rw-r--r-- 1 root root 780596 2013-09-27 18:49 /temp/molpro2012.1.2.block/Molpro/src/Block-0.9.6/newmat10/libnewmat.a<BR>-rw-r--r-- 1 root root 380756 2013-09-27 18:41 /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_filesystem.a<BR>-rw-r--r-- 1 root root 2083932 2013-09-27 18:42 /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_serialization.a<BR>-rw-r--r-- 1 root root 46166 2013-09-27 18:41 /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_system.a<BR>-rw-r--r-- 1 root root 488586 2013-09-27 18:42 /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_thread.a<BR>-rw-r--r-- 1 root root 1437226 2013-09-27 18:42 /temp/molpro2012.1.2.block/Molpro/src/boost-install/lib/libboost_wserialization.a</FONT><BR>
<BR>
May I learn the correct configure keywords or the suitable parse file to supply in order to get DMRG Block code compile in MOLPRO? Thank you very much for your kind reply.<BR>
<BR>
--<BR>
M.J. Wu<BR>
<BR>
<BR>
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