Dear all,
I am trying installation of Amber 10 as parallel on a 64-bit linux machine.
I have installed AmberTool successfully with no any error in test run. But
when I am compilling amber10 parallel with MPICH2 it is giving error in test
run.
Log of make parallel is as..
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cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE lesprm.f > _lesprm.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o lesprm.o _lesprm.f
cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE les2prm.f >
_les2prm.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o les2prm.o _les2prm.f
cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE checksz.f >
_checksz.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o checksz.o _checksz.f
cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE addspace_atm1st.f >
_addspace_atm1st.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o addspace_atm1st.o _addspace_atm1st.f
cd ../lib; ./Makelist ../lib/random.o ../lib/mexit.o ../lib/nxtsec.o
make[2]: Entering directory `/usr/local/amber10/src/lib'
cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE random.f > _random.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o random.o _random.f
make[2]: Leaving directory `/usr/local/amber10/src/lib'
make[2]: Entering directory `/usr/local/amber10/src/lib'
cpp -traditional -I/usr/local/MPICH2/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI -DUSE_MPI_IN_PLACE mexit.f > _mexit.f
/usr/local/MPICH2/bin/mpif90 -c -O0 -fno-range-check
-fno-second-underscore -o mexit.o _mexit.f
make[2]: Leaving directory `/usr/local/amber10/src/lib'
make[2]: Entering directory `/usr/local/amber10/src/lib'
make[2]: `nxtsec.o' is up to date.
make[2]: Leaving directory `/usr/local/amber10/src/lib'
/usr/local/MPICH2/bin/mpif90 -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 ../../exe
make[1]: Leaving directory `/usr/local/amber10/src/addles'
Installation of Amber10 (parallel) is complete at Tue Sep 29 19:35:01 IST
2009
*
The log of make test is as .......*
(find . -name '*.dif' -o -name 'profile_mpi' | \
while read dif ;\
do \
rm -f $dif ;\
done ;\
)
rm -f TEST_FAILURES.diff
cd dmp && ./Run.dmp
../../exe/sander: Command not found.
./Run.dmp: Program error
make: *** [test.sander.BASIC.nopar] Error 1
Kindly help me for this problem...
Thanks in advance
Kshatresh Dutta Dubey
Depart of Physics
DDU Gorakhpur University,Gorakhpur
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Received on Tue Sep 29 2009 - 07:30:01 PDT
