compiling NWChem 6.6 on Centos6


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Quote:Edoapra May 16th 9:29 am
export USE_64TO32=y
cd $NWCHEM_TOP/src/64to32blas
make
cd ..
make link


Thank you Edoapra,

Now I see
make[1]: Leaving directory `/opt/nwchem-6.6.b/src/64to32blas'
[root@gomafu 64to32blas]# cd ..
[root@gomafu src]# make link
cat: /opt/nwchem-6.6.b/src/tools/build/config.h: No such file or directory
grep: /opt/nwchem-6.6.b/src/tools/build/Makefile: No such file or directory
grep: /opt/nwchem-6.6.b/src/tools/build/Makefile: No such file or directory
grep: /opt/nwchem-6.6.b/src/tools/build/Makefile: No such file or directory
make nwchem.o stubs.o
cat: /opt/nwchem-6.6.b/src/tools/build/config.h: No such file or directory
make[1]: Entering directory `/opt/nwchem-6.6.b/src'
gfortran -m64 -ffast-math -Wuninitialized -fdefault-integer-8 -g -g -O -I. -I/opt/nwchem-6.6.b/src/include -I/opt/nwchem-6.6.b/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/opt/nwchem-6.6.b'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F
nwchem.F:3: error: errquit.fh: No such file or directory
nwchem.F:4: error: mafdecls.fh: No such file or directory
nwchem.F:5: error: global.fh: No such file or directory
nwchem.F:6: error: rtdb.fh: No such file or directory
nwchem.F:7: error: tcgmsg.fh: No such file or directory
nwchem.F:8: error: pstat.fh: No such file or directory
nwchem.F:9: error: util.fh: No such file or directory
nwchem.F:10: error: inp.fh: No such file or directory
nwchem.F:11: error: bgj_common.fh: No such file or directory
nwchem.F:12: error: stdio.fh: No such file or directory
nwchem.F:70.32:

     character*(nw_max_path_len) input_filename, rtdb_name             
1
Error: Symbol 'nw_max_path_len' at (1) has no IMPLICIT type
nwchem.F:232.14:

     bgj_rtdb = rtdb                                                   
1
Error: Symbol 'bgj_rtdb' at (1) has no IMPLICIT type
nwchem.F:109.22:

    &       INPUT_ERR)                                                 
1
Error: Symbol 'input_err' at (1) has no IMPLICIT type
nwchem.F:70.48:

     character*(nw_max_path_len) input_filename, rtdb_name             
1
Error: 'input_filename' at (1) must have constant character length in this context
nwchem.F:105.18:

        open(LuIn, file=input_filename, status='old', form='formatted',
1
Error: Symbol 'luin' at (1) has no IMPLICIT type
nwchem.F:323.23:

           write(LuOut,*)                                              
1
Error: Symbol 'luout' at (1) has no IMPLICIT type
nwchem.F:134.18:

    &      MA_ERR)                                                     
1
Error: Symbol 'ma_err' at (1) has no IMPLICIT type
nwchem.F:130.60:

     call ga_initialize_ltd(ma_sizeof(mt_dbl,global,mt_byte))          
1
Error: Symbol 'mt_byte' at (1) has no IMPLICIT type
nwchem.F:130.45:

     call ga_initialize_ltd(ma_sizeof(mt_dbl,global,mt_byte))          
1
Error: Symbol 'mt_dbl' at (1) has no IMPLICIT type
nwchem.F:292.46:

     if (util_print('rtdbvalues', print_debug)) then                   
1
Error: Symbol 'print_debug' at (1) has no IMPLICIT type
nwchem.F:319.51:

        if (util_print('ga summary', print_default))                   
1
Error: Symbol 'print_default' at (1) has no IMPLICIT type
nwchem.F:295.44:

     else if (util_print('rtdb', print_high)) then                     
1
Error: Symbol 'print_high' at (1) has no IMPLICIT type
nwchem.F:277.44:

        if (util_print('tcgmsg',print_never)) then                     
1
Error: Symbol 'print_never' at (1) has no IMPLICIT type
nwchem.F:334.46:

        if (util_print('citation', print_none))                        
1
Error: Symbol 'print_none' at (1) has no IMPLICIT type
nwchem.F:222.21:

    &       RTDB_ERR)                                                  
1
Error: Symbol 'rtdb_err' at (1) has no IMPLICIT type
nwchem.F:70.59:

     character*(nw_max_path_len) input_filename, rtdb_name             
1
Error: 'rtdb_name' at (1) must have constant character length in this context
nwchem.F:205.55:

    $     ('nwchem: pstat_init failed', 0, UNKNOWN_ERR)                
1
Error: Symbol 'unknown_err' at (1) has no IMPLICIT type
nwchem.F:93.32:

     total_wall = -util_wallsec()                                      
1
Error: Function 'util_wallsec' at (1) has no IMPLICIT type
nwchem.F:94.31:

     total_cpu  = -util_cpusec()                                       
1
Error: Function 'util_cpusec' at (1) has no IMPLICIT type
nwchem.F:99.10:

     if (nodeid() .eq. 0) then                                         
1
Error: Function 'nodeid' at (1) has no IMPLICIT type
nwchem.F:131.11:

     if ( ga_uses_ma() ) then                                          
1
Error: Function 'ga_uses_ma' at (1) has no IMPLICIT type
nwchem.F:149.15:

     if (.not. ma_set_numalign(6))                                     
1
Error: Function 'ma_set_numalign' at (1) has no IMPLICIT type
nwchem.F:198.15:

     status = ma_set_auto_verify(overify)                              
1
Error: Function 'ma_set_auto_verify' at (1) has no IMPLICIT type
nwchem.F:199.15:

     status = ma_set_hard_fail(ohardfail)                              
1
Error: Function 'ma_set_hard_fail' at (1) has no IMPLICIT type
nwchem.F:200.15:

     status = ma_set_error_print(ohardfail)                            
1
Error: Function 'ma_set_error_print' at (1) has no IMPLICIT type
Fatal Error: Error count reached limit of 25.
make[1]: *** [nwchem.o] Error 1
make[1]: Leaving directory `/opt/nwchem-6.6.b/src'
make: *** [link] Error 2