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

From: Ye Mei <ymei.itcc.nju.edu.cn>
Date: Thu, 15 Dec 2005 11:36:54 +0800

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.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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Received on Thu Dec 15 2005 - 03:53:00 PST
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