AMBER Archive (2007)Subject: RE: AMBER: sander MPI fails included tests
From: Sergio Wong (swong_at_mccammon.ucsd.edu)
Date: Thu Jun 28 2007 - 19:05:08 CDT
HI;
>> OK, I recompiled with the options you specified and still get
>> the same
>> error when running the change_target.ntr test. Ugh. I used the old
>> compiler for this last test. The new compiler (v 10) fails
>> to compile.
>> Apparently the naming conventions are somehow different and
>> it claims some
>> functions are delared multiple times.
>
> This is interesting, can you send me the exact specs and error messages you
> see.
>
> I have been using: Intel(R) Fortran Compiler for applications running on
> Intel(R) 64, Version 10.0 Beta Build 20070307 Package ID: l_fc_b_10.0.017
> Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
>
> on Dual by Quad core clovertown chips with mpich-vmi-2.2.0-1-intel for
> infiniband, and MKL 9.0 and ./configure -mpich ifort_x86_64 and I get no
> problems compiling or running any of the test cases including the targetted
> MD test case.
>
> How does your setup differ from this? What sub version of ifort 10.0 are you
> using?
Here's the ifort info:
Intel(R) Fortran Compiler for applications running on Intel(R) 64, Version
10.0 Build 20070426 Package ID: l_fc_p_10.0.023
Copyright (C) 1985-2007 Intel Corporation. All rights reserved.
FOR NON-COMMERCIAL USE ONLY
MKL Library version 8.1 (you'll see what happens with version 9.0 below)
On Intel(R) Xeon(R) CPU 5130 @ 2.00GHz
MPI Info:
MPICH Version: 1.2.7
MPICH Release date: $Date: 2005/06/22 16:33:49$
MPICH Patches applied: none
MPICH configure: --with-device=ch_gm --enable-sharedlib
-prefix=/opt/mpich/myrinet/intel -opt=-O2 -c++=icpc
-lib=-Wl,-rpath,/opt/gm/lib64/ -L/opt/gm/lib64/ -lgm -lpthread
MPICH Device: ch_gm
I configure as follows:
./configure -mpich -static ifort_x86_64
And modify the the config.h file so LOAD and FOPTFLAGS read as follows:
LOAD= ifort -g -static -FR -o sander.MPI
FOPTFLAGS= -w95 -g $(LOCALFLAGS) $(AMBERBUILDFLAGS)
So when it tries to compile sander.MPI I get the following errors:
/usr/lib64/libc.a(malloc.o)(.text+0x1880): In function `free':
: multiple definition of `free'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x1ea): first
defined here
ld: Warning: size of symbol `free' changed from 154 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 255 in /usr/lib
64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x38d0): In function `malloc':
: multiple definition of `malloc'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x2ac): first
defined here
ld: Warning: size of symbol `malloc' changed from 290 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 461 in /usr/l
ib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x3bd0): In function `memalign':
: multiple definition of `__libc_memalign'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_thread_weak.o)(.text+0x18):
first defined here
ld: Warning: size of symbol `__libc_memalign' changed from 8 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_thread_weak.o) to 5 37 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x3fb0): In function `realloc':
: multiple definition of `realloc'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x5c): first
defined here
ld: Warning: size of symbol `realloc' changed from 398 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 783 in /usr/
lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x4c0): In function `_int_new_arena':
: multiple definition of `_int_new_arena'
.... (there are more errors of the same type but I didn't want to let
this go on and on)
Similarly if I use MKL 9.1, I get simiar errors:
/usr/lib64/libc.a(malloc.o)(.text+0x1880): In function `free':
: multiple definition of `free'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x1ea): first
defined here
ld: Warning: size of symbol `free' changed from 154 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 255 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x38d0): In function `malloc':
: multiple definition of `malloc'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x2ac): first
defined here
ld: Warning: size of symbol `malloc' changed from 290 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 461 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x3bd0): In function `memalign':
: multiple definition of `__libc_memalign'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_thread_weak.o)(.text+0x18):
first defined here
ld: Warning: size of symbol `__libc_memalign' changed from 8 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_thread_weak.o) to 537 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x3fb0): In function `realloc':
: multiple definition of `realloc'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x5c): first
defined here
ld: Warning: size of symbol `realloc' changed from 398 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 783 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0x4c0): In function `_int_new_arena':
: multiple definition of `_int_new_arena'
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o)(.text+0x50a): first
defined here
ld: Warning: size of symbol `_int_new_arena' changed from 432 in
/opt/mpich/myrinet/intel/lib/libmpich.a(gmpi_malloc.o) to 224 in
/usr/lib64/libc.a(malloc.o)
/usr/lib64/libc.a(malloc.o)(.text+0xff0): In function `_int_free':
: multiple definition of `_int_free'
(this also continues on for a bit)
Thanks
-Sergio
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