[gmx-users] Any ideas/suggestions on this error?

David spoel at xray.bmc.uu.se
Wed Jul 16 07:36:01 CEST 2003


On Wed, 2003-07-16 at 04:20, Dallas Warren wrote:
> Just been trying to install GROMACS on my workstation.
> 
> Dual Xeon 2.4G
> Redhat 9.0
> 
> Compiled from source:
>          LAM 7.0
>          fftw 2.1.3.2
>          GROMACS 3.1.4
> 
> Everything appears to install/compile OK.  However, when I attempt to run 
> one of the GROMACS programs (say mdrun -h) this error appears ......
> 
> mdrun: relocation error: /usr/local/lib/libsfftw_mpi.so.2: symbol errno, 
> version GLIBC_2.0 not defined in file libc.so.6 with link time reference
> 
> ....... any suggestions?
yes, you have compiled fftw with mpi but not gromacs or the other way
around. You want to use --enable-mpi flag on everything
> 
> Catch ya,
> 
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a nail.
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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