AMBER Archive (2005)

Subject: AMBER: error with compiling amber8 with lam on intel pc clusters

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Wed Dec 14 2005 - 21:36:54 CST


Dear Amber users£¬

when I tried to compile amber8 with lam and ifort on my intel pc cluster, it failed with error message:
ifort -FR -o sander trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_force.o sander.o cshf.o noecalc.o noeread.o caldis.o calrate.o dinten.o drates.o indexn.o kmat.o pearsn.o plane.o remarc.o nmrcal.o nmrred.o restal.o getnat.o nmrnrg.o modwt.o disnrg.o angnrg.o tornrg.o nmrprt.o nmrgrp.o nmrcms.o nmrcmf.o impnum.o nmrsht.o at2res.o chklin.o opnmrg.o printe.o runmin.o ndvprt.o force.o rdparm.o mdread.o locmem.o runmd.o getcor.o r6ave.o r6drv.o aveint.o degcnt.o corf.o threeb.o tripl.o nmrrad.o decnvh.o fastwt.o echoin.o parallel.o jnrg.o shake.o ene.o mdwrit.o minrit.o set.o setmm.o dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o ew_direct.o ew_recip.o pcshift.o align.o rstack.o istack.o rfree.o rgroup.o random.o lsqfit.o amopen.o debug.o ew_recip_reg.o ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.o thermo_int.o matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o mdm.o pb_init.o constantph.o prn_dipoles.o \
        ../lmod/lmod.a -L/usr/local/lam/lib -llammpio -llamf77mpi -lmpi -llam -lutil -lpthread -lsvml -L/usr/intel/imkl/mkl80/lib/32 -lvml -lmkl_lapack64 -lmkl -lguide -lpthread \
        ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
/usr/local/lam/lib/libmpi.a(lamonesided.o)(.text+0x876): In function `lam_accumulate':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(lamonesided.o)(.text+0x972): In function `lam_accumulate':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(lamonesided.o)(.text+0xaea): In function `lam_put':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(lamonesided.o)(.text+0xb7a): In function `lam_get':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x341): In function `lam_max':
: undefined reference to `__mth_i_kcmp'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x3b5): In function `lam_max':
: undefined reference to `__mth_i_kucmp'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x761): In function `lam_min':
: undefined reference to `__mth_i_kcmp'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x7d5): In function `lam_min':
: undefined reference to `__mth_i_kucmp'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x1169): In function `lam_prod':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(lamreduce.o)(.text+0x11dc): In function `lam_prod':
: undefined reference to `__mth_i_kmul'
/usr/local/lam/lib/libmpi.a(types.o)(.data+0x2c): In function `lam_tv_load_type_defs':
/root/lam-7.0.4/share/mpi/totalview/types.c:55: undefined reference to `__pgdbg_stub'
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/home/ymei/amber8/src/sander'
make: *** [parallel] Error 2

It seems that it need some library of pgi compiler. So I tried pgi compiler, and the compilation completed successfully.
I feel puzzled with this message, especially the last line.
/root/lam-7.0.4/share/mpi/totalview/types.c:55: undefined reference to `__pgdbg_stub'

Who can help me out of it?
¡¡¡¡¡¡¡¡¡¡¡¡
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2005-12-15

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