Hi amber users,
I encountered the following errors when installed PMEMD in amber10.The MPI software I use is Lam in amber10, the compiler is intel ifort, and the operating system is Red Hat 5.
cd src && make install
make[1]: Entering directory `/usr/local/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/usr/local/amber10/bin/include -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
ifort -c -auto -tpp7 -xP -ip -O3 pmemd_lib.f90
fortcom: Error: pmemd_lib.f90, line 111: Cannot open include file 'mpif-common.h'
include 'mpif-common.h'
--------------^
fortcom: Error: pmemd_lib.f90, line 226: Cannot open include file 'mpif-common.h'
include 'mpif-common.h'
--------------^
fortcom: Error: pmemd_lib.f90, line 149: This name does not have a type, and must have an explicit type. [MPI_COMM_WORLD]
call mpi_comm_rank(mpi_comm_world, mytaskid, err_ret_code)
---------------------^
compilation aborted for pmemd_lib.f90 (code 1)
make[1]: *** [pmemd_lib.o] \u9519\u8bef 1
make[1]: Leaving directory `/usr/local/amber10/src/pmemd/src'
make: *** [install] \u9519\u8bef 2
And I also searched in the amber mailing list, I found the suggestions delivered by Prof. Ross Walker on this website
http://archive.ambermd.org/200907/0158.html. I tried, but it didnot work! Could somebody help me to figure it out? Any response will be highly appreciated?
Best wishes!
Qinghua Liao
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Received on Wed Jul 22 2009 - 10:09:20 PDT
