[molpro-user] ./configure -Block failed in 2012.1.2

[Kenny W]

Dear Molpro Experts,

 

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: 

./configure -openmp -ifort -icc -blas -i8 -Block

 

The prompt returned:

machine type recognized as x86_64 (Generic 64-bit)
kernel recognized as Linux

user request compiler ifort
Intel Fortran Compiler, Version 12.1.4
FC=/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/ifort

user request compiler icc
Intel C compiler, Version 12.1.4
CC=/opt/intel/composer_xe_2011_sp1.10.319/bin/intel64/icc

BLASLIB=-L/opt/intel/composer_xe_2011_sp1.10.319/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core

......

 

The Block-0.9.6 was downloaded successfully and compiled automatically with:

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'


but finally the configure script returned error messages as:

unable to link with parse object using:

/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

 

Please check the compiler is working, flags are correct and all libraries are present

 

failed to determine PARSE

 

Result so far of configure written to CONFIG.errout


However as I checked the libraries, all of the above-mentioned lib*.a were present:

-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

-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
-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
-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
-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
-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
-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

 

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.

 

--

M.J. Wu

 

 

 
 		 	   		  
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