Dear molpro experts, I am trying to compile molpro2002.6 with the intel fortran compiler ifc7.1 and the intel blas mkl6.0 on a dual Xeon. I am trying to first successfully compile a single processor binary before I even consider an mpp version.
The first problem that had to be fixed was the Red Hat 9 / ifc incompatibilty
problem which was done as described in
http://www.wien2k.at/reg_user/faq/redhat90.html
The next problem was that apparently the new mkl6.0 (as opposed to the previous
mkl5.2) defines the functions / subroutines blas2, lsame, and xerbla which occur
in a molpro file, molpro2002.6/src/blas/blas2.f. The simple remedy is to make
these changes in the file (change names of these routines from XERBLA to
XXERBLA, etc., when they are defined to avoid the conflict and use the mkl-
supplied routines instead):
% diff blas2.f_original blas2.f
2c2
< subroutine blas2
---
> subroutine bblas2
5c5
< SUBROUTINE XERBLA ( SRNAME, INFO )
---
> SUBROUTINE XXERBLA ( SRNAME, INFO )
14c14
< * XERBLA is an error handler for the Level 2 BLAS routines.
---
> * XXERBLA is an error handler for the Level 2 BLAS routines.
27c27
< * called XERBLA.
---
> * called XXERBLA.
48c48
< * End of XERBLA.
---
> * End of XXERBLA.
53c53
< LOGICAL FUNCTION LSAME( CA, CB )
---
> LOGICAL FUNCTION LLSAME( CA, CB )
67c67
< * LSAME returns .TRUE. if CA is the same letter as CB regardless of
---
> * LLSAME returns .TRUE. if CA is the same letter as CB regardless of
87,88c87,88
< LSAME = CA.EQ.CB
< IF( LSAME )
---
> LLSAME = CA.EQ.CB
> IF( LLSAME )
131c131
< LSAME = INTA.EQ.INTB
---
> LLSAME = INTA.EQ.INTB
135c135
< * End of LSAME
---
> * End of LLSAME
This seems to work and I can compile and link without errors. (I forgot to
mention that in configuring I chose blas level 3 so shouldn't the mkl blas be
used by default? Oh, I guess it's a new change in mkl in going from version 5.2
to 6.0.)
However, when I subsequently do:
% make quicktest >& make_quicktest.log &
the log shows, e.g.,
Running test job h2o_vdz.test
** Address Error **
End of diagnostics
I would appreciate your suggestions.
By the way, I should mention that I am successfully running molpro2002.6 installed
from an rpm on this system.
Thank you for your time and attention,
Garold Murdachaew
ps: I am including the CONFIG file, the make_quicktest.log file, and the
report.2002.6.unix-linux.mp20.garold.4.0.ifc.tar.gz as attachments.
# MOLPRO CONFIG generated at Wed Jul 30 16:22:41 EDT 2003 with version 2002.6 # for host mp20, architecture unix unix-i4 unix-linux # # insert additional hosts before mp20 in above line, if desired # ARCHITECTURE="unix unix-i4 unix-linux" # Compilers .. CC="cc -DMOLPRO_IFC" FC="/opt/intel/compiler70/ia32/bin/ifc -pc 64 -auto -autodouble -Vaxlib " F90="/opt/intel/compiler70/ia32/bin/ifc -pc 64 -auto -autodouble -Vaxlib " # compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP LINKFC="/opt/intel/compiler70/ia32/bin/ifc -pc 64 -auto -autodouble -Vaxlib " YACC="bison -b y" ARFLAGS="-r" # C defines # nb SEEK is disk seek speed in seconds # SPEED is disk transfer rate in 8 bytes/second # compiler optimisation COPT="-O3" FOPT="-w -O3" # compiler explicit no optimisation CDEF="-DSEEK=.001 -DSPEED=200000 -DLARGEFILES -DZLIB -DHAVE_INTTYPES_H " CNOPT=" " COPT1="-O1" COPT2="-O2" FNOPT="-O0" FOPT1="-w -O1" FOPT2="-w -O2" FOPT3="-w -O3" # compiler debug flag CDEBUG="-g" FDEBUG="-g" # static variables FSTATIC=" " # 64-bit integers FI64=" " # profiling FPROFILE="-p" CPROFILE="-p" # additional pre-processor flags FTCFLAGS="blas1 blas2 blas3" # additional directories to be compiled in mpp case MPPDIR="" # additional libraries and link options LIBS=" -lz" LINKOPT="-Wl,-rpath,/opt/intel/compiler70/ia32/bin/ifc" # non-standard location of system libraries LIBDIR="" # GKS X-windows library GKSLIB="-lgks0" # BLAS library BLASLIB="-L/opt/intel/mkl60/lib/32 -lmkl_lapack -lmkl_ia32 -lguide" # LAPACK library LAPACKLIB="" # MPP? MPP="0" MPPX="0" WRAPPER="" USE_MPI="" USE_LAPI="" USE_MYRINET="" MPI_LIB="" MPPNAME="" ARCHNAME="" MPITYPE="" MPIBASEDIR="" MYRINET_LIB="" MYRINET_LINKPARS="" MPIGM_FORMAT="0" USE_GIO="0" # files in src/ to be compiled without optimization F77VERSION="Intel(R) Fortran Compiler for 32-bit applications, Version 7.1 Build 20030307Z" NO_OPT="blas/lapack0.f " F_OPT1=" " F_OPT2=" " F_OPT3=" " C_OPT1=" " C_OPT2=" " # ranlib command (if not needed, true) RANLIB="true" # ls command to get user and group LSFULL="ls -l" # cp -p if it exists, else cp CP="cp -p" # tar command TAR="tar" # awk command AWK="awk" # strip command STRIP="strip" # installation directories INSTBIN="/home2/garold/bin" INSTLIB="/home2/garold/lib/molpro-Linux-i686-i4-2002.6" INSTHTML="/home2/garold/public_html/molpro/molpro2002.6" INSTCGI="/home2/garold/public_html/molpro/molpro2002.6" # makedepend configuration MAKEDEPEND_OPTIONS="-u" MODULE_SUFFIX="mod" # non-default libraries PARSE=parse-i686-pc-linux-gnu-i4.o.gz LICENCE_KEY='id=udel,modules=doc,version=:2002,date=:2007/10/07,mpp=32767&Vs6ZrfmCSaDp8oe2'
make -C utilities echo make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' make[1]: `echo' is up to date. make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make -C utilities ftc make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' make[1]: `ftc' is up to date. make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make -C utilities ftconv.exe make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' make[1]: `ftconv.exe' is up to date. make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make -C utilities makedepend make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' make[1]: `makedepend' is up to date. make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make -C utilities patcher make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' make[1]: `patcher' is up to date. make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make[1]: Entering directory `/home2/garold/molpro2002.6/src' make[2]: Entering directory `/home2/garold/molpro2002.6/src/util' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/util' make[2]: Entering directory `/home2/garold/molpro2002.6/src/argos' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/argos' make[2]: Entering directory `/home2/garold/molpro2002.6/src/ccsd' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/ccsd' make[2]: Entering directory `/home2/garold/molpro2002.6/src/cpp' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/cpp' make[2]: Entering directory `/home2/garold/molpro2002.6/src/dft' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/dft' make[2]: Entering directory `/home2/garold/molpro2002.6/src/fci' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/fci' make[2]: Entering directory `/home2/garold/molpro2002.6/src/forces' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/forces' make[2]: Entering directory `/home2/garold/molpro2002.6/src/lsint' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/lsint' make[2]: Entering directory `/home2/garold/molpro2002.6/src/mrci' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/mrci' make[2]: Entering directory `/home2/garold/molpro2002.6/src/multi' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/multi' make[2]: Entering directory `/home2/garold/molpro2002.6/src/opt' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/opt' make[2]: Entering directory `/home2/garold/molpro2002.6/src/prop' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/prop' make[2]: Entering directory `/home2/garold/molpro2002.6/src/scf' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/scf' make[2]: Entering directory `/home2/garold/molpro2002.6/src/semi' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/semi' make[2]: Entering directory `/home2/garold/molpro2002.6/src/seward' make[2]: Leaving directory 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directory `/home2/garold/molpro2002.6/src/lx' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/lx' make[2]: Entering directory `/home2/garold/molpro2002.6/src/Molcas' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/Molcas' make[2]: Entering directory `/home2/garold/molpro2002.6/src/Slapaf' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/Slapaf' make[2]: Entering directory `/home2/garold/molpro2002.6/src/eom' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/eom' make[2]: Entering directory `/home2/garold/molpro2002.6/src/cfit' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/cfit' make[2]: Entering directory `/home2/garold/molpro2002.6/src/dmscf' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/dmscf' make[2]: Entering directory `/home2/garold/molpro2002.6/src/blas' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/blas' make[2]: Entering directory `/home2/garold/molpro2002.6/src/dalton' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/dalton' make[2]: Entering directory `/home2/garold/molpro2002.6/src/basis' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/basis' make[2]: Entering directory `/home2/garold/molpro2002.6/src/explicit' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/explicit' make[2]: Entering directory `/home2/garold/molpro2002.6/src/vscf' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/vscf' make[2]: Entering directory `/home2/garold/molpro2002.6/src/cosmo' make[2]: Leaving directory `/home2/garold/molpro2002.6/src/cosmo' if [ ! -r ../lib/libmolpro.a ]; then \ echo "Rebuilding ../lib/libmolpro.a from scratch" ;\ ar -q ../lib/libmolpro.a licence.o ; \ ar -q ../lib/libmolpro.a [A-Z]*/*.o ; \ ar -q ../lib/libmolpro.a [a-h]*/*.o ; \ ar -q ../lib/libmolpro.a [i-z]*/*.o ; \ true ../lib/libmolpro.a ; \ else \ echo "Updating ../lib/libmolpro.a" ;\ make ../lib/libmolpro.a ; \ fi Updating ../lib/libmolpro.a make[2]: Entering directory `/home2/garold/molpro2002.6/src' make[2]: `../lib/libmolpro.a' is up to date. make[2]: Leaving directory `/home2/garold/molpro2002.6/src' make[1]: Leaving directory `/home2/garold/molpro2002.6/src' make -C utilities cnvrt.exe make[1]: Entering directory `/home2/garold/molpro2002.6/utilities' rdabsf.c: compiling ... done timing_molpro.c: compiling ... done cnvrt.f: preprocessing ... compiling ... done linking cnvrt.exe make[1]: Leaving directory `/home2/garold/molpro2002.6/utilities' make[1]: Entering directory `/home2/garold/molpro2002.6/lib' make[1]: Nothing to be done for `basis_library'. make[1]: Leaving directory `/home2/garold/molpro2002.6/lib' make[1]: Entering directory `/home2/garold/molpro2002.6/testjobs' Running test job h2o_vdz.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_vdz.test h2o_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_vdz.errout **** in the directory make[1]: [h2o_vdz.out] Error 1 (ignored) Running test job registry.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB registry.test registry.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/registry.errout **** in the directory make[1]: [registry.out] Error 1 (ignored) Running test job h2o_select.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_select.test h2o_select.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_select.errout **** in the directory make[1]: [h2o_select.out] Error 1 (ignored) Running test job h2o_explicit.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_explicit.test h2o_explicit.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_explicit.errout **** in the directory make[1]: [h2o_explicit.out] Error 1 (ignored) Running test job n2_restrict.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB n2_restrict.test n2_restrict.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/n2_restrict.errout **** in the directory make[1]: [n2_restrict.out] Error 1 (ignored) Running test job h2o_ano.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_ano.test h2o_ano.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_ano.errout **** in the directory make[1]: [h2o_ano.out] Error 1 (ignored) Running test job h2o_restart.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_restart.test h2o_restart.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_restart.errout **** in the directory make[1]: [h2o_restart.out] Error 1 (ignored) Running test job h2o_opt.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_opt.test h2o_opt.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_opt.errout **** in the directory make[1]: [h2o_opt.out] Error 1 (ignored) Running test job orient.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB orient.test orient.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/orient.errout **** in the directory make[1]: [orient.out] Error 1 (ignored) Running test job cn_uno.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB cn_uno.test cn_uno.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/cn_uno.errout **** in the directory make[1]: [cn_uno.out] Error 1 (ignored) Running test job o2_vdz.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB o2_vdz.test o2_vdz.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/o2_vdz.errout **** in the directory make[1]: [o2_vdz.out] Error 1 (ignored) Running test job o2_rs2.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB o2_rs2.test o2_rs2.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/o2_rs2.errout **** in the directory make[1]: [o2_rs2.out] Error 1 (ignored) Running test job o2_rs2c.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB o2_rs2c.test o2_rs2c.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/o2_rs2c.errout **** in the directory make[1]: [o2_rs2c.out] Error 1 (ignored) Running test job o2_rmp2.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB o2_rmp2.test o2_rmp2.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/o2_rmp2.errout **** in the directory make[1]: [o2_rmp2.out] Error 1 (ignored) Running test job h2o_userop.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_userop.test h2o_userop.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_userop.errout **** in the directory make[1]: [h2o_userop.out] Error 1 (ignored) Running test job h2o_local.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_local.test h2o_local.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_local.errout **** in the directory make[1]: [h2o_local.out] Error 1 (ignored) Running test job h2o_freq.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_freq.test h2o_freq.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_freq.errout **** in the directory make[1]: [h2o_freq.out] Error 1 (ignored) Running test job h2o_eom.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_eom.test h2o_eom.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_eom.errout **** in the directory make[1]: [h2o_eom.out] Error 1 (ignored) Running test job h2o_dft.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_dft.test h2o_dft.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_dft.errout **** in the directory make[1]: [h2o_dft.out] Error 1 (ignored) Running test job h2o_direct.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_direct.test h2o_direct.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_direct.errout **** in the directory make[1]: [h2o_direct.out] Error 1 (ignored) Running test job sf6_dk.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB sf6_dk.test sf6_dk.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/sf6_dk.errout **** in the directory make[1]: [sf6_dk.out] Error 1 (ignored) Running test job ar2_dk_dummy.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB ar2_dk_dummy.test ar2_dk_dummy.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/ar2_dk_dummy.errout **** in the directory make[1]: [ar2_dk_dummy.out] Error 1 (ignored) Running test job form_dftfreq.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB form_dftfreq.test form_dftfreq.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/form_dftfreq.errout **** in the directory make[1]: [form_dftfreq.out] Error 1 (ignored) Running test job h2o_cfit.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_cfit.test h2o_cfit.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_cfit.errout **** in the directory make[1]: [h2o_cfit.out] Error 1 (ignored) Running test job h2o_dfit.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_dfit.test h2o_dfit.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_dfit.errout **** in the directory make[1]: [h2o_dfit.out] Error 1 (ignored) Running test job fci.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB fci.test fci.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/fci.errout **** in the directory make[1]: [fci.out] Error 1 (ignored) Running test job h2o_ks.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_ks.test h2o_ks.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_ks.errout **** in the directory make[1]: [h2o_ks.out] Error 1 (ignored) Running test job h2o_cfit_opt.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_cfit_opt.test h2o_cfit_opt.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_cfit_opt.errout **** in the directory make[1]: [h2o_cfit_opt.out] Error 1 (ignored) Running test job hso2_mccore.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB hso2_mccore.test hso2_mccore.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/hso2_mccore.errout **** in the directory make[1]: [hso2_mccore.out] Error 1 (ignored) Running test job c2h4_optnum.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB c2h4_optnum.test c2h4_optnum.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/c2h4_optnum.errout **** in the directory make[1]: [c2h4_optnum.out] Error 1 (ignored) Running test job h2o_numfreq.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_numfreq.test h2o_numfreq.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_numfreq.errout **** in the directory make[1]: [h2o_numfreq.out] Error 1 (ignored) Running test job cn_tranh.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB cn_tranh.test cn_tranh.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/cn_tranh.errout **** in the directory make[1]: [cn_tranh.out] Error 1 (ignored) Running test job h2o_status.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_status.test h2o_status.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_status.errout **** in the directory make[1]: [h2o_status.out] Error 1 (ignored) Running test job h2o_cosmo.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_cosmo.test h2o_cosmo.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_cosmo.errout **** in the directory make[1]: [h2o_cosmo.out] Error 1 (ignored) Running test job solve.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB solve.test solve.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/solve.errout **** in the directory make[1]: [solve.out] Error 1 (ignored) Running test job h2o_vscf.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_vscf.test h2o_vscf.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_vscf.errout **** in the directory make[1]: [h2o_vscf.out] Error 1 (ignored) Running test job h2o_vscf_restart.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB h2o_vscf_restart.test h2o_vscf_restart.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/h2o_vscf_restart.errout **** in the directory make[1]: [h2o_vscf_restart.out] Error 1 (ignored) Running test job co2_mp2freq.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB co2_mp2freq.test co2_mp2freq.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/co2_mp2freq.errout **** in the directory make[1]: [co2_mp2freq.out] Error 1 (ignored) Running test job c2h4_prop.test ** Address Error ** End of diagnostics **** PROBLEMS WITH TEST JOB c2h4_prop.test c2h4_prop.test: ERRORS DETECTED: non-zero return code ... inspect output **** For further information, look in the output file testjobs/c2h4_prop.errout **** in the directory make[1]: [c2h4_prop.out] Error 1 (ignored) make -s report make[2]: Entering directory `/home2/garold/molpro2002.6/testjobs' report made, and bundled as report.2002.6.unix-linux.mp20.garold.4.0.ifc.tar.gz make[2]: Leaving directory `/home2/garold/molpro2002.6/testjobs' make[1]: Leaving directory `/home2/garold/molpro2002.6/testjobs'
report.2002.6.unix-linux.mp20.garold.4.0.ifc.tar.gz
Description: GNU Zip compressed data
