[gmx-developers] release-4-6 branch doesn't compile?

Justin Lemkul jalemkul at vt.edu
Sat Nov 17 13:47:24 CET 2012



On 11/17/12 12:20 AM, Roland Schulz wrote:
> Hi,
>
> looks like the CFLAGS are missing -msse4.1 . Check whether that is indeed
> missing from CMAKE_C_FLAGS (CMakeCache.txt) and add it if it is. Then check if
> you delete CMakeCache.txt and rerun cmake, if it doesn't forget to add it again
> (to make sure we don't have some bug in cmake).
>

Thanks, Roland.  Adding -msse4.1 does the trick.  Re-running cmake after 
deleting CMakeCache.txt does not fix the problem, as the flag is still missing, 
with CMAKE_C_FLAGS set to " -Wall -Wno-unused -Wunused-value ".  Anything else I 
should try, or that would be useful to post to help diagnose?

-Justin

> On Fri, Nov 16, 2012 at 11:42 PM, Justin Lemkul <jalemkul at vt.edu
> <mailto:jalemkul at vt.edu>> wrote:
>
>
>     Hi All,
>
>     Quick question about compiling the latest release-4-6 from git.  It seems that I
>     can't get it to compile.  I get the following:
>
>     First a warning here
>     ...
>     [  1%] Building C object src/gmxlib/CMakeFiles/gmx.dir/gmx_arpack.c.o
>     /home/jalemkul/git/release-4-6/include/thread_mpi/atomic/gcc_x86.h: In function
>     ‘int tMPI_Atomic_cas(tMPI_Atomic_t*, int, int)’:
>     /home/jalemkul/git/release-4-6/include/thread_mpi/atomic/gcc_x86.h:135: warning:
>     comparison between signed and unsigned integer expressions
>     [  2%] Building C object src/gmxlib/CMakeFiles/gmx.dir/viewit.c.o
>     ...
>
>     and then the actual failure
>     ...
>     [  9%] Building C object src/gmxlib/CMakeFiles/gmx.dir/mshift.c.o
>     In file included from
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:24,
>                        from
>     /home/jalemkul/git/release-4-6/include/gmx_x86_simd_single.h:35,
>                        from /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:60:
>     /usr/lib/gcc/i686-linux-gnu/4.4.5/include/smmintrin.h:32: error: #error "SSE4.1
>     instruction set not enabled"
>     In file included from
>     /home/jalemkul/git/release-4-6/include/gmx_x86_simd_single.h:35,
>                        from /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:60:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:82: error: expected
>     declaration specifiers or ‘...’ before ‘__m128’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_printxmm_ps’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:86: warning: implicit
>     declaration of function ‘_mm_storeu_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:86: error: ‘xmm’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:86: error: (Each
>     undeclared identifier is reported only once
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:86: error: for each
>     function it appears in.)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: At top level:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:92: error: expected
>     declaration specifiers or ‘...’ before ‘__m128’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_printxmmsum_ps’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:96: error: ‘xmm’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: At top level:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:102: error: expected
>     declaration specifiers or ‘...’ before ‘__m128d’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_printxmm_pd’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:106: warning: implicit
>     declaration of function ‘_mm_storeu_pd’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:106: error: ‘xmm’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: At top level:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:111: error: expected
>     declaration specifiers or ‘...’ before ‘__m128d’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_printxmmsum_pd’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:115: error: ‘xmm’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: At top level:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:121: error: expected
>     declaration specifiers or ‘...’ before ‘__m128i’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_printxmm_epi32’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:125: warning: implicit
>     declaration of function ‘_mm_storeu_si128’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:125: error: ‘__m128i’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:125: error: expected
>     expression before ‘)’ token
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h: In function
>     ‘gmx_mm_check_and_reset_overflow’:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:136: warning: implicit
>     declaration of function ‘_mm_getcsr’
>     /home/jalemkul/git/release-4-6/include/gmx_x86_sse4_1.h:143: warning: implicit
>     declaration of function ‘_mm_setcsr’
>     In file included from
>     /home/jalemkul/git/release-4-6/include/gmx_x86_simd_single.h:36,
>                        from /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:60:
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h: At top
>     level:
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:46: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_invsqrt_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:58: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_sqrt_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:73: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_inv_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:83: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_abs_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:93: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_log_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:190: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_exp2_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:248: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_exp_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:309: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_erf_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:474: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_erfc_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:705: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_pmecorrF_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:783: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_pmecorrV_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:830: error:
>     expected ‘)’ before ‘x’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:920: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_sin_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:932: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_cos_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:941: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_tan_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:955: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_asin_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:1024: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_acos_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:1060: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_atan_ps’
>     /home/jalemkul/git/release-4-6/include/gmx_math_x86_sse4_1_single.h:1117: error:
>     expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_atan2_ps’
>     In file included from /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:60:
>     /home/jalemkul/git/release-4-6/include/gmx_x86_simd_single.h:50: error: expected
>     ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘gmx_mm_calc_rsq_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c: In function
>     ‘dih_angle_sse’:
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1229: error: ‘__m128’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1229: error: expected ‘;’
>     before ‘rijx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1230: error: expected ‘;’
>     before ‘rkjx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1231: error: expected ‘;’
>     before ‘rklx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1232: error: expected ‘;’
>     before ‘mx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1233: error: expected ‘;’
>     before ‘nx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1234: error: expected ‘;’
>     before ‘cx_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1235: error: expected ‘;’
>     before ‘cn_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1236: error: expected ‘;’
>     before ‘s_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1237: error: expected ‘;’
>     before ‘phi_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1238: error: expected ‘;’
>     before ‘ipr_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1240: error: expected ‘;’
>     before ‘iprm_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1241: error: expected ‘;’
>     before ‘nrkj2_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1242: error: expected ‘;’
>     before ‘nrkj_m2_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1243: error: expected ‘;’
>     before ‘p_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1244: error: expected ‘;’
>     before ‘fmin_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: error: expected ‘;’
>     before ‘tmp’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: error: ‘rijx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: warning: implicit
>     declaration of function ‘_mm_load_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: error: ‘rijy_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: error: ‘rijz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: error: ‘tmp’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1253: warning: implicit
>     declaration of function ‘_MM_TRANSPOSE4_PS’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1254: error: expected ‘;’
>     before ‘tmp’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1254: error: ‘rkjx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1254: error: ‘rkjy_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1254: error: ‘rkjz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1255: error: expected ‘;’
>     before ‘tmp’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1255: error: ‘rklx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1255: error: ‘rkly_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1255: error: ‘rklz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1257: error: ‘mx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1257: warning: implicit
>     declaration of function ‘_mm_sub_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1257: warning: implicit
>     declaration of function ‘_mm_mul_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1257: error: ‘my_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1257: error: ‘mz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1261: error: ‘nx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1261: error: ‘ny_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1261: error: ‘nz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1265: error: ‘cx_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1265: error: ‘cy_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1265: error: ‘cz_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1269: error: ‘cn_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1269: warning: implicit
>     declaration of function ‘gmx_mm_sqrt_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1269: warning: implicit
>     declaration of function ‘_mm_add_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1271: error: ‘s_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1273: error: ‘phi_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1273: warning: implicit
>     declaration of function ‘gmx_mm_atan2_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1274: warning: implicit
>     declaration of function ‘_mm_store_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1276: error: ‘ipr_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1279: warning: implicit
>     declaration of function ‘_mm_movemask_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1289: error: ‘iprm_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1290: error: ‘iprn_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1293: error: expected ‘;’
>     before ‘tmp’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1294: error: expected ‘;’
>     before ‘tmp’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1296: error: ‘nrkj2_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1301: warning: implicit
>     declaration of function ‘_mm_max_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1301: error: ‘fmin_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1302: error: ‘nrkj_1_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1302: warning: implicit
>     declaration of function ‘gmx_mm_invsqrt_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1303: error: ‘nrkj_2_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1304: error: ‘nrkj_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1308: error: ‘nrkj_m2_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1308: warning: implicit
>     declaration of function ‘gmx_mm_inv_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1309: error: ‘nrkj_n2_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1314: error: ‘p_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1318: error: ‘q_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c: In function
>     ‘pdihs_noener_sse’:
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1672: error: ‘__m128’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1672: error: expected ‘;’
>     before ‘mdphi_SSE’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1721: error: ‘mdphi_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1722: warning: implicit
>     declaration of function ‘gmx_mm_sincos_ps’
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1722: error: ‘sin_SSE’
>     undeclared (first use in this function)
>     /home/jalemkul/git/release-4-6/src/gmxlib/bondfree.c:1722: error: ‘cos_SSE’
>     undeclared (first use in this function)
>     [  9%] make[2]: *** [src/gmxlib/CMakeFiles/gmx.dir/bondfree.c.o] Error 1
>     make[2]: *** Waiting for unfinished jobs....
>     Building C object src/gmxlib/CMakeFiles/gmx.dir/pargs.c.o
>     make[1]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
>     make: *** [all] Error 2
>
>
>     Given that I'm fairly unfamiliar with the new build system (read: cmake noob), I
>     don't know a lot about what you might need to see from my configuration.  I'm
>     linking against fftw-3.3.2 and cmake detected SSE4.1 optimization for our system
>     (a reasonably new GPU workstation).
>
>     $ uname -a
>     Linux hermes 2.6.35-32-generic #67-Ubuntu SMP Mon Mar 5 19:35:26 UTC 2012 i686
>     GNU/Linux
>
>     gcc is version 4.4.5.
>
>     Please let me know what I need to provide to help diagnose what's going on.  Is
>     the optimization not being detected properly?  How would I find that out?
>
>     -Justin
>     --
>     ========================================
>
>     Justin A. Lemkul, Ph.D.
>     Research Scientist
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080 <tel:%28540%29%20231-9080>
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
>     ========================================
>     --
>     gmx-developers mailing list
>     gmx-developers at gromacs.org <mailto:gmx-developers at gromacs.org>
>     http://lists.gromacs.org/mailman/listinfo/gmx-developers
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>     <mailto:gmx-developers-request at gromacs.org>.
>
>
>
>
>
>
>
> --
> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov <http://cmb.ornl.gov>
> 865-241-1537, ORNL PO BOX 2008 MS6309
>
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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