[AMBER] Amber11 using MPICH (parallel install problem)

From: mish <smncbr.gmail.com>
Date: Wed, 6 Jul 2011 20:21:35 +0200

Hello all:

I am installing amber11 in debian machine as a normal user. Serial version
was complied using gnu compiler and it works. When I tried the parallel
installation using MPICH there are problems. mpich2-1.4 do not kaed mpif90
and installation interrupts with error. Then I tried mpich-1.2.7p1 and it
makes both mpich90 and mpicc, which are in the path now. This time it
produces error :

cpp -traditional -P -DBINTRAJ -DMPI
-I/home/sushil/Softwares/mpich2-install/include constants.f > _constants.f
mpif90 -c -O3 -mtune=generic -ffree-form -o constants.o _constants.f
No Fortran 90 compiler specified when mpif90 was created,
or configuration file does not specify a compiler.
make[1]: *** [constants.o] Error 1
make[1]: Leaving directory `/home/sushil/Softwares/amber11/src/sander'
make: *** [parallel] Error 2

I tried to replace mpif90 by mpif77 in ./configue but in that case it has
errr like :
make[1]: Entering directory `/home/sushil/Softwares/amber11/src/sander'
cpp -traditional -P -DBINTRAJ -DMPI
-I/home/sushil/Softwares/mpich2-install/include constants.f > _constants.f
mpif77 -c -O3 -mtune=generic -ffree-form -o constants.o _constants.f
Error on line 89: illegal continuation card (starts "module")
Error on line 93: illegal continuation card (starts "double")
Error on line 94: illegal continuation card (starts "double")

Dies anyone have some idea how to properly compile MPICH so that it can work
here or how to modify ./configure to make in working in this condition.

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Received on Wed Jul 06 2011 - 11:30:04 PDT
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