Molcas Forum

rafapa

Member

Registered: 2019-04-18

Posts: 2

Molcas 8.4 beta and MKL installation problem.

Hi,
I run setup choosing gfortran, MKL & serial.
Running make triggers the following error:
/usr/bin//gfortran -o ../../bin/check.exe  main.o -Wl,--start-group -L../../lib -lcheck -L../../lib -laniso_util -lblas_m_util -ldga_util -lfim_util -lga2_util -lgrid_it_util -lhyper_util -lio2_util -llapack_m2_util -llapack_m_util -llibmsym_util -lmknemo_util -lmsym_util -lalaska_util -lamfi_util -lcasvb_util -lccsd_util -lccsort_util -lcct3_util -lcholesky_util -ldft_util -ldkh_old_util -ldkh_util -lembedding_util -lespf_util -lfaiemp_util -lfmm_util -lfock_util -lga_util -lgateway_util -lgrid_util -lguessorb_util -linput_util -lintegral_util -lio_util -llinalg_util -llocalisation_util -lloprop_util -llucia_util -lmisc_util -lmma_util -lmolcas_ci_util -lnq_util -loneint_util -lpcm_util -lpeekpoke_util -lppint_util -lproperty_util -lquadpack_util -lquater_util -lrestart_util -lri_util -lrunfile_util -lrys_util -lslapaf_util -lsort_util -lsystem_util -ltransform_util -lxml_util -lModules  -Wl,--end-group "LIB"

It seems to me there is something wrong with the XLIB variable. The Makefile defines
XLIB   = "$XLIB"
but I have no such variable defined anywhere else.

If I remove the ${XLIB} from the following line in the Makefile it seems to work.
        ${FCOMPILER} -o ${@} ${LDFLAGS} main.o ${LIBGROUP} ${XLIB} ${EXTRA_OPTS}

I need to do it in all the Makefiles.
Could somebody tell me what I am doing wrong?
Thanks,
Rafael

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,085

Re: Molcas 8.4 beta and MKL installation problem.

I would guess there is an error in setup, line 1078, it should probably say "XLIB=\"$XLIB\""

rafapa

Member

Registered: 2019-04-18

Posts: 2

Re: Molcas 8.4 beta and MKL installation problem.

Same problem.
I suggest two changes:
1. Create the install.sh so it uses the shell. I was using the tcsh and executing from the command line reports that the XLIB command does not exist.
Something like
echo "#!/bin/sh" >install.sh
echo "# feel free to edit!" >>install.sh
echo "XLIB=$XLIB" >>install.sh

should work.

2. Line 1089 should read
export XLIB=$XLIB
instead of
export XLIB=\"\$XLIB\"

Thanks for the help,
Rafael

Last edited by rafapa (2019-04-18 18:36:46)

valera

Administrator

Registered: 2015-11-03

Posts: 129

Re: Molcas 8.4 beta and MKL installation problem.

Thanks, Rafael!
yes, the bug was already spotted and fixed.