Dear All
I have compile Amber 12 with openmpi and all things were right, but the
xleap and tleap does not installed. Also I install the Amber on the same
computer without openmpi and the xleap and tleap is OK!!!
Can anyone tell me how can I solve this problem?
the results of configure and a few line of the make install commands are
presented below.
Your Sincerely
Nasiri
/amber12 $ ./configure -mpi gnu
Checking for updates...
Checking for available patches online. This may take a few seconds...
Available AmberTools 13 patches:
No patches available
Available Amber 12 patches:
No patches available
Searching for python2... Found python2.7: /usr/bin/python2.7
Obtaining the gnu suite version:
gcc -v
The version is 4.8.2
Testing the gcc compiler:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c
OK
Testing the gfortran compiler:
gfortran -O0 -o testp testp.f
OK
Testing mixed C/Fortran compilation:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o
testp.c.o testp.c
gfortran -O0 -c -o testp.f.o testp.f
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o testp
testp.c.o testp.f.o -lgfortran -w
OK
Testing pointer size:
gcc -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -o
test_pointer_size test_pointer_size.c
Detected 64 bit operating system.
Testing flex: OK
Testing Amber's NetCDF... OK.
Checking for zlib: OK
Checking for libbz2: OK
Configuring fftw-3.3 for mdgx (may be time-consuming)...
fftw-3.3 configure succeeded.
The configuration file, config.h, was successfully created.
The next step is to type 'make install'
Cleaning the src directories. This may take a few moments.
Configure complete.
============================================================make install
===============================================================
1 1x,'*** IF EXISTS MUST SPECIFY read OR wovr ',/)
1
Warning: Extension: Tab character in format at (1)
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o geti.o geti.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o unit.o unit.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o getc.o getc.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o alert.o alert.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o echo.o echo.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o get4c.o get4c.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o getd.o getd.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o wlesprm.o wlesprm.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o lesprm.o lesprm.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o les2prm.o les2prm.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o checksz.o checksz.F
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o addspace_atm1st.o addspace_atm1st.F
cd ../lib && make random.o mexit.o nxtsec.o
make[3]: Entering directory `/home/nasiri/amber12/AmberTools/src/lib'
make[3]: `random.o' is up to date.
mpif90 -DBINTRAJ -DMPI -c -O0 -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o mexit.o mexit.F
make[3]: `nxtsec.o' is up to date.
make[3]: Leaving directory `/home/nasiri/amber12/AmberTools/src/lib'
mpif90 -DBINTRAJ -DMPI -I/home/nasiri/amber12/include
-I/home/nasiri/amber12/include -o addles lesmain.o addspace.o readprm.o
writprm.o readcrd.o writcrd.o pick.o rline.o nxt.o intgr.o
find.o of.o geti.o unit.o getc.o alert.o echo.o get4c.o
getd.o wlesprm.o lesprm.o les2prm.o checksz.o addspace_atm1st.o \
../lib/random.o ../lib/mexit.o ../lib/nxtsec.o
mv addles /home/nasiri/amber12/bin
make[2]: Leaving directory `/home/nasiri/amber12/src/addles'
Installation of Amber12 (parallel) is complete at Mon Jan 26 17:54:38 IRST
2015.
make[1]: Leaving directory `/home/nasiri/amber12/src'
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Received on Tue Jan 27 2015 - 00:00:02 PST
