[gmx-users] gromacs-5.1.1 installation error: libxml2 problem

Irina Kosheleva ikoshelev at cars.uchicago.edu
Mon Feb 15 17:01:07 CET 2016

Hi Mark,
Thank you for your suggestions
Indeed this works:
For libxml2:
./configure --prefix=/home/ikosh/programs/autotools-bin  --without-python --without-zlib --without-lzma

cmake -DCMAKE_C_COMPILER=mpixlc_r -DCMAKE_CXX_COMPILER=mpixlcxx_r -DCMAKE_TOOLCHAIN_FILE=BlueGeneQ-static-XL-C -DGMX_SIMD=IBM_QPX     -DBUILD_SHARED_LIBS=OFF -DGMX_XML=OFF -DGMX_PREFER_STATIC_LIBS=ON  -DCMAKE_C_FLAGS="-O3 -qsmp=omp -qarch=qp -qtune=qp" -DCMAKE_INSTALL_PREFIX=/gpfs/vesta-home/ikosh/gromacs-5.1.1/install
-- Looking for NVIDIA GPUs present in the system

-- Checking for MPI_IN_PLACE - yes
-- Looking for zlibVersion in /home/ikosh/programs/autotools-bin/lib/libz.a
-- Looking for zlibVersion in /home/ikosh/programs/autotools-bin/lib/libz.a - found
-- Found LibXml2: /home/ikosh/programs/autotools-bin/lib/libxml2.a (found version "2.9.3") 
-- Looking for xmlTextWriterEndAttribute in /home/ikosh/programs/autotools-bin/lib/libxml2.a
-- Looking for xmlTextWriterEndAttribute in /home/ikosh/programs/autotools-bin/lib/libxml2.a - found!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Mark Abraham
Sent: Monday, February 15, 2016 9:30 AM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] gromacs-5.1.1 installation error: libxml2 problem


Now that I have a computer again, I looked up what I did on Vesta, and in
fact you don't need zlib support from libxml2, so just configure libxml2
without that (and without python), and you'll be fine.

I am also looking at how we can take this useless activity away from

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