Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
Forum Vet
8:26:20 AM PST - Sat, Dec 2nd 2017
Dear all 
    The version of GCC is 7.2.0 and the error is:
...
Making libraries in basis
make[1]: Entering directory '/home/hp/computation2/nwchem6.8/src/basis'
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -ge: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
gfortran -c -m64 -ffast-math -Wuninitialized -fdefault-integer-8 -g -g -O -I. -I/home/hp/computation2/nwchem6.8/src/include -I/home/hp/computation2/nwchem6.8/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG basis.F
make[1]: gfortran??????
../config/makefile.h:2683: recipe for target '/home/hp/computation2/nwchem6.8/lib/LINUX64/libnwcutil.a(basis.o)' failed
make[1]: *** [/home/hp/computation2/nwchem6.8/lib/LINUX64/libnwcutil.a(basis.o)] Error 127
make[1]: Leaving directory '/home/hp/computation2/nwchem6.8/src/basis'
GNUmakefile:103: recipe for target 'libraries' failed
make: *** [libraries] Error 1
  NWCHEM6.6 encounters the same error on the identical environment
..
Making libraries in basis
make[1]: Entering directory '/home/hp/computation/nwchem6.6/src/basis'
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
gfortran -c -m64 -ffast-math -Wuninitialized -fdefault-integer-8 -g -g -O -I. -I/home/hp/computation/nwchem6.6/src/include -I/home/hp/computation/nwchem6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG basis.F
make[1]: gfortran??????
../config/makefile.h:2532: recipe for target '/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)' failed
make[1]: *** [/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)] Error 127
make[1]: Leaving directory '/home/hp/computation/nwchem6.6/src/basis'
GNUmakefile:103: recipe for target 'libraries' failed
make: *** [libraries] Error 1

Perhaps I should use old versions of gcc.

Very Best Regards!

Forum Vet
7:10:40 AM PST - Mon, Dec 4th 2017
Dear All
  I removed GCC7.2.0 and installed GCC4.8.5 in order to compile GAMESS on the same
computer, but got the following error when NWCHEM6.6 was compiled
...
     configure: C compiler
configure:
checking for style of include used by make... GNU
checking whether the C compiler works... no
configure: error: in `/home/hp/computation/nwchem6.6/src/tools/build':
configure: error: C compiler cannot create executables
See `config.log' for more details
GNUmakefile:561: recipe for target 'build/config.status' failed
make[1]: *** [build/config.status] Error 1
make[1]: Leaving directory '/home/hp/computation/nwchem6.6/src/tools'
GNUmakefile:103: recipe for target 'libraries' failed
make: *** [libraries] Error 1

     What is wrong with the C compiler?



    Very Best Regards!

Sincerely Yours

Forum Vet
1:51:46 PM PST - Mon, Dec 4th 2017
What output you get by typing

gfortran -v

which gfortran

Forum Vet
7:55:13 PM PST - Mon, Dec 4th 2017
Dear Edoapra
  Command gfortran -v gives
gfortran is not installed
sudo apt install gfortran,
which gfortran gives blank, but gcc-4.8 -v gives
...
gnu --host=x86_64-linux-gnu --target=x86_64-linux-gnu
Thread model: posix
gcc version 4.8.5 (Ubuntu 4.8.5-4ubuntu6)
and which gcc-4.8 gives
/usr/bin/gcc-4.8


The Ubuntu version information is
...
Distributor ID: Ubuntu
Description: Ubuntu 17.10
Release: 17.10
Codename: artful


Thanks a lot for your help!
very Best Regards!

Forum Vet
9:24:49 PM PST - Mon, Dec 4th 2017
Dear Edoapra
 After the command export CC=/usr/bin/gcc-4.8 is added, the error becomes
...
( cd /home/hp/computation/nwchem6.6/src/config; make /home/hp/computation/nwchem6.6/bin/LINUX64/depend.x ; )
make[2]: Entering directory '/home/hp/computation/nwchem6.6/src/config'
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/usr/bin/gcc -g -o /home/hp/computation/nwchem6.6/bin/LINUX64/depend.x depend.c
make[2]: /usr/bin/gcc??????
GNUmakefile:45: recipe for target '/home/hp/computation/nwchem6.6/bin/LINUX64/depend.x' failed
make[2]: *** [/home/hp/computation/nwchem6.6/bin/LINUX64/depend.x] Error 127
make[2]: Leaving directory '/home/hp/computation/nwchem6.6/src/config'
gfortran -c -m64 -ffast-math -Wuninitialized -fdefault-integer-8 -g -g -O -I. -I/home/hp/computation/nwchem6.6/src/include -I/home/hp/computation/nwchem6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG basis.F
make[1]: gfortran??????
../config/makefile.h:2532: recipe for target '/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)' failed
make[1]: *** [/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)] Error 127
make[1]: Leaving directory '/home/hp/computation/nwchem6.6/src/basis'
GNUmakefile:103: recipe for target 'libraries' failed
make: *** [libraries] Error 1

The HP Z2 Mini G3 workstation seems to run Ubuntu 17.10 very fluently with an Intel core i7 6700 cpu, and a Z2 Turbo Drive G2 MLC PCIe SSD as well as a Samsung 16GB DDR4 2400MHz non-ECC memory, the latter two of which can be upgraded. It also has an additional 1TB HDD.

Thanks!
Very Best Regards!

Forum Vet
10:55:25 AM PST - Tue, Dec 5th 2017
Please send the output of

gfortran-4.8 -v

Forum Vet
9:20:05 PM PST - Tue, Dec 5th 2017
Dear Dr. Edoapra
    The command gfortran-4.8 -v leaves blank.

    Since it seems GCC-4.9 is no longer available from the official GCC website, I
reinstalled GCC-4.8 and GFORTRAN-4.8, and gcc-4.8 -v gives
Using built-in specs.
COLLECT_GCC=gcc-4.8
COLLECT_LTO_WRAPPER=/usr/lib/gcc/x86_64-linux-gnu/4.8/lto-wrapper
Target: x86_64-linux-gnu
Configured with: ../src/configure -v --with-pkgversion='Ubuntu 4.8.5-4ubuntu6' --with-bugurl=file:///usr/share/doc/gcc-4.8/README.Bugs --enable-languages=c,c++,java,go,d,fortran,objc,obj-c++ --prefix=/usr --program-suffix=-4.8 --enable-shared --enable-linker-build-id --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix --with-gxx-include-dir=/usr/include/c++/4.8 --libdir=/usr/lib --enable-nls --with-sysroot=/ --enable-clocale=gnu --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-gnu-unique-object --disable-libmudflap --enable-plugin --with-system-zlib --disable-browser-plugin --enable-java-awt=gtk --enable-gtk-cairo --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-4.8-amd64/jre --enable-java-home --with-jvm-root-dir=/usr/lib/jvm/java-1.5.0-gcj-4.8-amd64 --with-jvm-jar-dir=/usr/lib/jvm-exports/java-1.5.0-gcj-4.8-amd64 --with-arch-directory=amd64 --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --enable-objc-gc --enable-multiarch --disable-werror --with-arch-32=i686 --with-abi=m64 --with-multilib-list=m32,m64,mx32 --with-tune=generic --enable-checking=release --build=x86_64-linux-gnu --host=x86_64-linux-gnu --target=x86_64-linux-gnu
Thread model: posix
gcc version 4.8.5 (Ubuntu 4.8.5-4ubuntu6)

and gfortran-4.8 -v gives

Using built-in specs.
COLLECT_GCC=gfortran-4.8
COLLECT_LTO_WRAPPER=/usr/lib/gcc/x86_64-linux-gnu/4.8/lto-wrapper
Target: x86_64-linux-gnu
Configured with: ../src/configure -v --with-pkgversion='Ubuntu 4.8.5-4ubuntu6' --with-bugurl=file:///usr/share/doc/gcc-4.8/README.Bugs --enable-languages=c,c++,java,go,d,fortran,objc,obj-c++ --prefix=/usr --program-suffix=-4.8 --enable-shared --enable-linker-build-id --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix --with-gxx-include-dir=/usr/include/c++/4.8 --libdir=/usr/lib --enable-nls --with-sysroot=/ --enable-clocale=gnu --enable-libstdcxx-debug --enable-libstdcxx-time=yes --enable-gnu-unique-object --disable-libmudflap --enable-plugin --with-system-zlib --disable-browser-plugin --enable-java-awt=gtk --enable-gtk-cairo --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-4.8-amd64/jre --enable-java-home --with-jvm-root-dir=/usr/lib/jvm/java-1.5.0-gcj-4.8-amd64 --with-jvm-jar-dir=/usr/lib/jvm-exports/java-1.5.0-gcj-4.8-amd64 --with-arch-directory=amd64 --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --enable-objc-gc --enable-multiarch --disable-werror --with-arch-32=i686 --with-abi=m64 --with-multilib-list=m32,m64,mx32 --with-tune=generic --enable-checking=release --build=x86_64-linux-gnu --host=x86_64-linux-gnu --target=x86_64-linux-gnu
Thread model: posix
gcc version 4.8.5 (Ubuntu 4.8.5-4ubuntu6) .

    The compilation also fails even CC and FC are exported

...
Making libraries in basis
make[1]: Entering directory '/home/hp/computation/nwchem6.6/src/basis'
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
( cd /home/hp/computation/nwchem6.6/src/config; make /home/hp/computation/nwchem6.6/bin/LINUX64/depend.x ; )
make[2]: Entering directory '/home/hp/computation/nwchem6.6/src/config'
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/bin/sh: 1: [: -gt: unexpected operator
/usr/bin/gcc -g -o /home/hp/computation/nwchem6.6/bin/LINUX64/depend.x depend.c
make[2]: /usr/bin/gcc??????
GNUmakefile:45: recipe for target '/home/hp/computation/nwchem6.6/bin/LINUX64/depend.x' failed
make[2]: *** [/home/hp/computation/nwchem6.6/bin/LINUX64/depend.x] Error 127
make[2]: Leaving directory '/home/hp/computation/nwchem6.6/src/config'
gfortran -c -m64 -ffast-math -Wuninitialized -fdefault-integer-8 -g -g -O -I. -I/home/hp/computation/nwchem6.6/src/include -I/home/hp/computation/nwchem6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG basis.F
make[1]: gfortran??????
../config/makefile.h:2532: recipe for target '/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)' failed
make[1]: *** [/home/hp/computation/nwchem6.6/lib/LINUX64/libnwcutil.a(basis.o)] Error 127
make[1]: Leaving directory '/home/hp/computation/nwchem6.6/src/basis'
GNUmakefile:103: recipe for target 'libraries' failed
make: *** [libraries] Error 1

Thanks!

Very Best Regards!

Forum Vet
4:17:23 AM PST - Wed, Dec 6th 2017
Dear Dr. Edoapra
    I unpack the official GAMESS 2017 R2 released this September, and
am very glad to know from the version information that there is an added
support for GNU compilers up to version 7.2 (Linux. OSX). So I will try
GCC 7.2.

   Thanks!

 

   Very Best Regards!

Forum Vet
6:15:19 AM PST - Wed, Dec 6th 2017
Now the compilation of NWCHEM6.6 on Ubuntu 17.10 has been successful with GCC 7.2.0 and additional downloading and installation of GFORTRAN 7.2.0, ans so has the second candidate release of of NWCHEM6.8 been on the same environment.
...
/bin/rm -f nwchem.o stubs.o


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