From NWChem
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| 8:41:14 AM PST - Thu, Nov 5th 2015 |
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Hello,
I am trying to compile Nwchem-6.6. My computer is running Windows 8.1, and has an Intel i7-3520M processor. I followed the steps outline here : http://www.nwchem-sw.org/index.php/Special:AWCforum/sp/id5124
Here is the output after entering the two make commands:
$ make nwchem_config
/bin/sh: line 0: [: too many arguments
/bin/sh: line 0: [: too many arguments
cat: /proc/cpuinfo: No such file or directory
make -C config -f make_nwchem_config NWCHEM_MODULES="all"
echo \# This configuration generated automatically on \
`hostname` at `date` > nwchem_config.h
echo "# Request modules from user: all" >> nwchem_config.h
echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 step
per driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qho
p property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans t
ce bq mm cons perfm dntmc dangchang ccca" >> nwchem_config.h
echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver
-loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -
lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -l
ofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplo
t -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldn
tmc -lccca" >> nwchem_config.h
echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad python argos diana uccsd
t rism geninterface smd nbo leps lucia" >> nwchem_config.h
echo "CONFIG_LIBS = " >> nwchem_config.h
echo \# This configuration generated automatically on \
`hostname` at `date` > NWCHEM_CONFIG
echo "# Request modules from user: all" >> NWCHEM_CONFIG
echo The following subdirectories are built: >> NWCHEM_CONFIG
echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dpl
ot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft n
wmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space s
tepper symmetry tce vib vscf >> NWCHEM_CONFIG
echo corresponding to these libraries: >> NWCHEM_CONFIG
echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangch
ang -lddscf -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -l
hessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -l
band -lnwpwlib -loptim -lperfm -lprepar -lproperty -lqhop -lqmd -lqmmm -lrimp2 -
lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONF
IG
echo >> NWCHEM_CONFIG
echo The following directories are excluded from the build: >> NWCHEM_CONFIG
echo develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface
smd nbo leps lucia >> NWCHEM_CONFIG
echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG
echo argos argos_input crossing debtest dia_input diana gasdev geninterface jant
est jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver m
c_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_
input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_g
etvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_ha
s_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwx
c_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwx
c_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_
input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo
task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragme
nt uccsdt uccsdtest urand >> NWCHEM_CONFIG
echo "No extra configuration libraries were added " >> NWCHEM_CONFIG
cp census.skeleton ../stubs.F
for routine in argos argos_input crossing debtest dia_input diana gasdev geninte
rface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data m
c_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_
input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_d
isp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_h
fx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_i
s_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_
delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp
2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy
task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_
smd_fragment uccsdt uccsdtest urand; do \
sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \
done
cp util_module_avail_F.begin ../util/util_module_avail.F
echo "c This function was auto generated by make_nwchem_config" >> ../util/util_
module_avail.F
for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf
dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_gra
d nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvatio
n space stepper symmetry tce vib vscf; do \
echo " case (\""$module"\")" >> ../util/util_module_avail.F ;
\
done
cat util_module_avail_F.end >> ../util/util_module_avail.F
$ make FC=gfortran DEPEND_CC=gcc
/bin/sh: line 0: [: too many arguments
/bin/sh: line 0: [: too many arguments
cat: /proc/cpuinfo: No such file or directory
NWChem's Performance is degraded by not setting BLASOPT
Please consider using ATLAS, GotoBLAS2, OpenBLAS, Intel MKL,
IBM ESSL, AMD ACML, etc. to improve performance.
If you decide to not use a fast implementation of BLAS/LAPACK,
please define USE_INTERNALBLAS=y and the internal Netlib will be used.
I have two questions:
-how do I fix the “/bin/sh: line 0: [: too many arguments “ error ?
-is this error the reason why I’m not getting a NWchem executable file?
Thank you!
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