#Configure using intel2019
#./configure --skip-python -intelmpi intel

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AMBER_PREFIX=/home/vrahul/Softwares/amber18
AMBER_SOURCE=/home/vrahul/Softwares/amber18


Warning: without the Python development libraries and headers you
         will not be able to build the Python-sander interface or
         pytraj. If you have no need for either, this is not a problem.


Obtaining the intel compiler suite versions, e.g.:
     icc -v
The C version is 19.0.5.281
The Fortran version is 19.0.5.281

Testing the icc compiler:
     icc -fPIC  -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -std=gnu99 -o testp testp.c
OK

Testing the icpc compiler:
     icpc -fPIC  -o testp testp.cpp
OK

Testing the ifort compiler:
     ifort -fPIC  -O0 -o testp testp.f 
OK

Testing mixed C/Fortran compilation:
     icc -fPIC  -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -std=gnu99 -c -o testp.c.o testp.c
     ifort -fPIC  -O0 -c -o testp.f.o testp.f
     icc -fPIC  -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp testp.c.o testp.f.o -lifport -lifcore -lsvml 
OK

Testing pointer size:
     icc -fPIC  -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -std=gnu99 -o test_pointer_size test_pointer_size.c
Detected 64 bit operating system.

Testing flex:OK

Testing bison:
OK

Checking NetCDF...
	Using bundled NetCDF library.
	Starting NetCDF build.
	Configuring NetCDF C interface (may be time-consuming)...
	Compiling the NetCDF C interface (may be time-consuming)...
	Configuring NetCDF Fortran interface (may be time-consuming)...
	Compiling the NetCDF Fortran interface (may be time-consuming)...
NetCDF build succeeded.

Checking for zlib: OK

Checking for libbz2: OK

Configuring fftw-3.3 (may be time-consuming)...

    fftw-3.3 configure succeeded.

Configuring boost (may be time-consuming)...OK
Compiling boost (may be time-consuming)...OK

Configuring CPPTRAJ...complete.

testing [C++ / fortran] cross-compile with MPI libs
OK
 
The configuration file, config.h, was successfully created.
 
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Environment resource files are provided to set the proper environment
variables to use AMBER and AmberTools. This is required to run any Python
programs (like MMPBSA.py, ParmEd, MCPB.py, and pytraj)

If you use a Bourne shell (e.g., bash, sh, zsh, etc.), source the
/home/vrahul/Softwares/amber18/amber.sh file in your shell. Consider adding the line
  test -f /home/vrahul/Softwares/amber18/amber.sh && source /home/vrahul/Softwares/amber18/amber.sh
to your startup file (e.g., ~/.bashrc)

If you use a C shell (e.g., csh, tcsh), source the
/home/vrahul/Softwares/amber18/amber.csh file in your shell. Consider adding the line
  test -f /home/vrahul/Softwares/amber18/amber.csh && source /home/vrahul/Softwares/amber18/amber.csh
to your startup file (e.g., ~/.cshrc)

NOTE: MacOS users might need to add the content to ~/.bash_profile file
(You need to do the above before running 'make install')

Warning: No parallel NetCDF specified (--with-pnetcdf <dir>).
         Parallel NetCDF trajectory output will not be available
         in cpptraj.MPI.

--------------------------------------------------------------------------------

The next step is to source the amber.sh or amber.csh file
  (if needed, see above), and then to type 'make install'

Cleaning the src directories. This may take a few moments.
Configure complete.