gaussiantoqmc test
Posted: Sat Dec 28, 2013 8:02 pm
Hi,
> testing 'gaussiantoqmc c2h2.out c2h2.fchk' I've got
Wrapper failed to find gaussiantoqmc for CASINO_ARCH=linuxpc-ifort-lam-parallel .
Try typing 'make' under CASINO/utils .
-----------------------------------------------
Results obtained after 'make':
bcramer@linux-1bj8:~/CASINO/utils> make
CASINO utils MAKE information
* LN = ln -s
* F90 = ifort -O3 -no-prec-div -no-prec-sqrt -funroll-loops -no-fp-port -ip
-complex-limited-range -par-report0 -vec-report0 -assume protect_parens
-diag-disable 5140 -diag-disable 10010
LDF90 utils > blip
ld: cannot find -llammpio
ld: cannot find -llamf77mpi
ld: cannot find -lmpi
ld: cannot find -llam
make[1]: *** [/home/bcramer/CASINO/utils/wfn_converters/pw_to_blips/../../../bin_qmc/utils/linuxpc-ifort-lam-parallel/blip] Error 1
make: *** [/home/bcramer/CASINO/utils/../bin_qmc/utils/linuxpc-ifort-lam-parallel/blip] Error 1
********************************
Above mentioned missing lib`s are all present in the /mpi-lam/64lib directory and specified in my path:
export LD_LIBRARY_PATH=/usr/local/lam-mpi/lib64
How can this be fixed?
*********************************
Thank you for your help
Regards
Bruno
--------------
PS.
My environment variables
#----------------INTEL Compiler FORTRAN
PATH=$PATH:/opt/intel/composer_xe_2013/bin
PATH=$PATH:/opt/intel/composer_xe_2011_sp1/bin
#--------------------QMC--CASINO
PATH=$PATH:/home/bcramer/CASINO/bin_qmc
export CASINO_ARCH='linuxpc-ifort'
#-----------------------VMD
PATH=$PATH:/usr/local/vmd-1.9.1/bin
#------------------LAM-MPI
PATH=$PATH:/usr/local/lam-mpi/bin
export LD_LIBRARY_PATH=/usr/local/lam-mpi/lib64
export PATH
********************************************************************
> testing 'gaussiantoqmc c2h2.out c2h2.fchk' I've got
Wrapper failed to find gaussiantoqmc for CASINO_ARCH=linuxpc-ifort-lam-parallel .
Try typing 'make' under CASINO/utils .
-----------------------------------------------
Results obtained after 'make':
bcramer@linux-1bj8:~/CASINO/utils> make
CASINO utils MAKE information
* LN = ln -s
* F90 = ifort -O3 -no-prec-div -no-prec-sqrt -funroll-loops -no-fp-port -ip
-complex-limited-range -par-report0 -vec-report0 -assume protect_parens
-diag-disable 5140 -diag-disable 10010
LDF90 utils > blip
ld: cannot find -llammpio
ld: cannot find -llamf77mpi
ld: cannot find -lmpi
ld: cannot find -llam
make[1]: *** [/home/bcramer/CASINO/utils/wfn_converters/pw_to_blips/../../../bin_qmc/utils/linuxpc-ifort-lam-parallel/blip] Error 1
make: *** [/home/bcramer/CASINO/utils/../bin_qmc/utils/linuxpc-ifort-lam-parallel/blip] Error 1
********************************
Above mentioned missing lib`s are all present in the /mpi-lam/64lib directory and specified in my path:
export LD_LIBRARY_PATH=/usr/local/lam-mpi/lib64
How can this be fixed?
*********************************
Thank you for your help
Regards
Bruno
--------------
PS.
My environment variables
#----------------INTEL Compiler FORTRAN
PATH=$PATH:/opt/intel/composer_xe_2013/bin
PATH=$PATH:/opt/intel/composer_xe_2011_sp1/bin
#--------------------QMC--CASINO
PATH=$PATH:/home/bcramer/CASINO/bin_qmc
export CASINO_ARCH='linuxpc-ifort'
#-----------------------VMD
PATH=$PATH:/usr/local/vmd-1.9.1/bin
#------------------LAM-MPI
PATH=$PATH:/usr/local/lam-mpi/bin
export LD_LIBRARY_PATH=/usr/local/lam-mpi/lib64
export PATH
********************************************************************