Hello,
I was trying to compile PMEMD10. The modules I loaded are: 1)
mvapich2_intel 2) fc/10.1.011
First, I configured by doing "./configure linux_em64t ifort mvapich". Then I
compiled and got the following error:
/lib/cpp -traditional -P -I/usr/mpi/mvapich2-1.0-1/intel/include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
charmm.fpp charmm.f90
mpif90 -c -auto -tpp7 -xP -ip -O3 charmm.f90
ifort: command line remark #10148: option '-tp' not supported
ifort: command line warning #10120: overriding '-O2' with '-O3'
fortcom: Error: charmm.f90, line 275: Declaration of module 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
fortcom: Error: charmm.f90, line 275: Declaration of routine 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
compilation aborted for charmm.f90 (code 1)
make[1]: *** [charmm.o] Error 1
make[1]: Leaving directory `/home/dnjiao/pmemd/src'
make: *** [install] Error 2
I have successfully compiled PMEMD9 on this same cluster with the same
options and it worked. Just had to replace "ifort" with "mpif90" in the
config.h file. Before, I was using the AMOEBA, so I needed to manually added
the keyword -DAMOEBA at the line of "F90_DEFINES = -DFFTLOADBAL_2PROC". It
seems CHARMM module is not recognized this time so I figured I could do the
similar thing by adding "-DCHARMM" at the end of same line, but it didn't
help.
Actually, I don't need CHARMM at all, so I deleted object files that related
to charmm, including charmm.o charmm_gold.o, from the the Makefile, but
still got the same error.
Does anyone know how to fix it?
Dian
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Received on Fri Apr 23 2010 - 11:30:04 PDT
