[gmx-users] gromacs installation problem in ibm powerpc system

Mark Abraham mark.abraham at anu.edu.au
Mon May 31 08:44:39 CEST 2010

----- Original Message -----
From: Sanku M <msanku65 at yahoo.com>
Date: Monday, May 31, 2010 13:00
Subject: [gmx-users] gromacs installation problem in ibm powerpc system
To: gmx-users at gromacs.org

> Hi,>   I am having a problem in a cluster which is IBM  PowerPC 970MPs and running SUSE linux and it has IBM XL  C & Fortran compliers ( xlf, xlc ).> I was trying to install gromacs 4 there using open-mpi which is already installed using ibm compilers.> Here is my configure command:> 
> ./configure --prefix=/N/u/tg-jmondal/BigRed/UTIL/gromacs_mod_4_gcc/ --enable-mpi --program-suffix=mod_4mpi CPPFLAGS=-I/N/soft/linux-sles9-ppc64/fftw3-64-single/include LDFLAGS=-L/N/soft/linux-sles9-ppc64/fftw3-64-single/lib/ --without-x CC=xlc F77=xlf CXX=xlc++> 
> The configuration part went OK.> But when I wrote make,> it fails with following error:> "nb_kernel010_ppc_altivec.h", line 42.44: 1506-275 (S) Unexpected text p_nri encountered.> 

Assuming you're trying to install GROMACS 4.0.5 (which would have been good to mention), it has a bunch of "restrict" keywords in these arguments. Bizarrely, these are not found in any other GROMACS version, nor in the git repository, so someone did something weird there. Anyway, you can get rid of them by installing GROMACS 4.0.7, which has a bunch of bug fixes anyway...


"nb_kernel010_ppc_altivec.h", line 42.76: 1506-275 (S) Unexpected text iinr encountered.> "nb_kernel010_ppc_altivec.h", line 42.102: 1506-275 (S) Unexpected text jindex encountered.> "nb_kernel010_ppc_altivec.h", line 43.70: 1506-275 (S) Unexpected text jjnr encountered.> "nb_kernel010_ppc_altivec.h", line 43.98: 1506-275 (S) Unexpected text shift encountered.> "nb_kernel010_ppc_altivec.h",
 line 43.124: 1506-275 (S) Unexpected text shiftvec encountered.> "nb_kernel010_ppc_altivec.h", line 44.70: 1506-275 (S) Unexpected text fshift encountered.> "nb_kernel010_ppc_altivec.h", line 44.98: 1506-275 (S) Unexpected text gid encountered.> "nb_kernel010_ppc_altivec.h", line 44.124: 1506-275 (S) Unexpected text pos encountered.> "nb_kernel010_ppc_altivec.h", line 45.70: 1506-275 (S) Unexpected text faction encountered.> "nb_kernel010_ppc_altivec.h", line 45.98: 1506-275 (S) Unexpected text charge encountered.> "nb_kernel010_ppc_altivec.h", line 45.123: 1506-275 (S) Unexpected text p_facel encountered.> "nb_kernel010_ppc_altivec.h", line 46.69: 1506-275 (S) Unexpected text p_krf encountered.> "nb_kernel010_ppc_altivec.h", line 46.100: 1506-275 (S) Unexpected text p_crf encountered.> "nb_kernel010_ppc_altivec.h", line 46.130: 1506-275 (S) Unexpected text Vc
 encountered.> "nb_kernel010_ppc_altivec.h", line 47.70: 1506-275 (S) Unexpected text type encountered.> "nb_kernel010_ppc_altivec.h", line 47.96: 1506-275 (S) Unexpected text p_ntype encountered.> "nb_kernel010_ppc_altivec.h", line 47.126: 1506-275 (S) Unexpected text vdwparam encountered.> "nb_kernel010_ppc_altivec.h", line 48.70: 1506-275 (S) Unexpected text Vvdw encountered.> "nb_kernel010_ppc_altivec.h", line 48.97: 1506-275 (S) Unexpected text p_tabscale encountered.> make[5]: *** [nb_kernel010_ppc_altivec.lo] Error 1> make[5]: Leaving directory `/N/hd01/tg-jmondal/BigRed/GROMACS_MODIFIED/gromacs-4.0.5_gcc/src/gmxlib/nonbonded/nb_kernel_ppc_altivec'> make[4]: *** [all-recursive] Error 1> make[4]: Leaving directory `/N/hd01/tg-jmondal/BigRed/GROMACS_MODIFIED/gromacs-4.0.5_gcc/src/gmxlib/nonbonded'> make[3]: *** [all-recursive] Error 1> make[3]: Leaving
 directory `/N/hd01/tg-jmondal/BigRed/GROMACS_MODIFIED/gromacs-4.0.5_gcc/src/gmxlib'> make[2]: *** [all-recursive] Error 1> make[2]: Leaving directory `/N/hd01/tg-jmondal/BigRed/GROMACS_MODIFIED/gromacs-4.0.5_gcc/src'> make[1]: *** [all] Error 2> make[1]: Leaving directory `/N/hd01/tg-jmondal/BigRed/GROMACS_MODIFIED/gromacs-4.0.5_gcc/src'> make: *** [all-recursive] Error 1> 
> Not sure what it means. Any help to resolve the issue will be highly appreciated.> 
> Sanku> 



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