[AMBER] Parallel compile error of Amber11

From: kurisaki <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Wed, 28 Sep 2011 12:30:52 +0900

Dear Amber users and developers,

 

I am trying to install Amber11 for parallel calculation,

But I encountered following error message in install process.

 

dsarpack.f(615): (col. 17) remark: LOOP WAS VECTORIZED.

mpicc -c -ip -O3 -axSTPW -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DMPI
-I/home/kurisaki/mpich2-install/include -o wallclock.o wallclock.c

cc1: error: unrecognized command line option "-ip"

cc1: error: unrecognized command line option "-axSTPW"

make[2]: *** [wallclock.o] Error 1

make[2]: Leaving directory
`/home/kurisaki/amber/amber11_IK_ifort_Parallel/AmberTools/src/arpack'

make[1]: *** [netlib] Error 2

make[1]: Leaving directory
`/home/kurisaki/amber/amber11_IK_ifort_Parallel/src/sander'

make: *** [parallel] Error 2

 

 

Error message suggests mpicc cannot recognize some frags and

This subroutine would be needed to treat eigen value problem.

Does any problems arise if we skip the compiling dsarpack.f?

 

I am most grateful if you tell me resolution to finish compile.

 

                                               Ikuo Kurisaki

 

PS

We use Intel compiler and MPICH2 here.

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Received on Tue Sep 27 2011 - 21:00:02 PDT
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