Many thanks.
$ which mpif90
/usr/local/bin/mpif90
$ mpif90 -show
gfortran -I/usr/local/include -I/usr/local/lib -L/usr/local/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -lutil
I did "nm schlegel_dg.o | grep schlegel". Below's the output. It seems that I have treble underscore.
$ nm schlegel_dg.o | grep schlegel
U ___schlegel_MOD_alpha
U ___schlegel_MOD_avdw
U ___schlegel_MOD_b
U ___schlegel_MOD_bvdw
U ___schlegel_MOD_ddvkl
U ___schlegel_MOD_ddvmm
U ___schlegel_MOD_dg_weight
U ___schlegel_MOD_dgdim
U ___schlegel_MOD_dist_gauss
U ___schlegel_MOD_dvdw
U ___schlegel_MOD_dvkl
U ___schlegel_MOD_dvmm
U ___schlegel_MOD_gbasis_weight
U ___schlegel_MOD_naangle
U ___schlegel_MOD_nadihed
U ___schlegel_MOD_nangle
U ___schlegel_MOD_natm
U ___schlegel_MOD_nbond
U ___schlegel_MOD_ncart
U ___schlegel_MOD_ncoord
U ___schlegel_MOD_ndg
U ___schlegel_MOD_ndihed
U ___schlegel_MOD_nselect
U ___schlegel_MOD_nuff
U ___schlegel_MOD_rdgdim
U ___schlegel_MOD_scoord
U ___schlegel_MOD_vkl
U ___schlegel_MOD_vmm
U ___schlegel_MOD_wdcmat
U ___schlegel_MOD_xdat_min
U ___schlegel_MOD_xdat_xdg
U ___schlegel_MOD_xvdw
U ___schlegel_MOD_zvdw
U _schlegel_ddgauss_
0000000000000000 T _schlegel_dg_
000000000000acf8 S _schlegel_dg_.eh
00000000000098a1 T _schlegel_dg_alloc_
000000000000adf8 S _schlegel_dg_alloc_.eh
000000000000a7bd T _schlegel_dg_dealloc_
000000000000ae30 S _schlegel_dg_dealloc_.eh
U _schlegel_dgauss_
0000000000002b6e T _schlegel_evb_
000000000000ad38 S _schlegel_evb_.eh
U _schlegel_full_
U _schlegel_gauss_
U _schlegel_gmres_
0000000000005996 T _schlegel_vkl_
000000000000ad78 S _schlegel_vkl_.eh
0000000000007bce T _schlegel_vmm_
000000000000adb8 S _schlegel_vmm_.eh
Numerous other lines have also multiple underscore, e.g.
___qmmm_module_MOD_qmmm_mpi_setup in qmmm_module.o
___amoeba_trig_angles_MOD_am_trig_angles_bcast in amoeba_valence.o
$ which mpif90
/usr/local/bin/mpif90
$ mpif90 -show
gfortran -I/usr/local/include -I/usr/local/lib -L/usr/local/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -lutil
I hope this helps the diagnostics.
Many thanks in advance
George
On May 31, 2010, at 6:35 PM, case wrote:
> On Mon, May 31, 2010, George Tzotzos wrote:
>>
>> Thanks for the latest instructions to compile MPICH2.
>> ./configure -mpi gnu in $AMBERHOME/AmberTools/src works fine
>>
>> Trying to do a "make parallel" in amber11/src gives the error below
>>
>> _schlegel_dg_ in schlegel_dg.o
>
> I'm assuming(?) that there were lots of other lines like this one. Seeing the
> whole log file (or at least the full link step) would probably help.
>
> In amber11/src/sander, type this: "nm schlegel_dg.o | grep schlegel". This
> will help see if you have a double-underscore problem. (It is suspicious
> that all the listed missing refs have underscores in the name.)
>
> Also, please report what "which mpif90" and "mpif90 -show" report.
>
> I'm assuming you indeed typed "make clean" prior to typing "make parallel"; if
> not be sure to do that.
>
> ....dac
>
>
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Received on Mon May 31 2010 - 10:00:07 PDT
