Re: [AMBER] Error during the test of amber 18 installation

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 10 Oct 2019 12:06:57 -0400

I cant reproduce this behavior with a similar system (scientific linux
6.1, gcc 4.4.7, Intel MPI 5.0.1). The 'missing actual argument' error
looks more like you may have unwittingly altered some source files,
maybe via an improperly applied patch? Best advice I can give is to
start over from a clean source directory.

-Dan

On Wed, Oct 9, 2019 at 7:34 AM Sunita Patel <sunita.patel.cbs.ac.in> wrote:
>
> On Mon, Oct 7, 2019 at 5:57 PM David A Case <david.case.rutgers.edu> wrote:
>
> > On Mon, Oct 07, 2019, Sunita Patel wrote:
> > >
> > >I did ...
> > >./configure -mpi --skip-python gnu
> > >make install
> > >
> > >Error: Missing actual argument for argument 'ismremd' at (1)
> > >make[3]: *** [binrestart.o] Error 1
> >
> > (a) Can you provide more of the error message (the material right before
> > the snippet you provided above?
> >
>
> Warning: Unused dummy argument 'nfftdim2' at (1)
> short_ene.F90: In function ‘short_ene_dip’:
> short_ene.F90:1590: warning: ‘lambda3’ may be used uninitialized in this
> function
> short_ene.F90:1590: warning: ‘lambda5’ may be used uninitialized in this
> function
> short_ene.F90:1590: warning: ‘lambda7’ may be used uninitialized in this
> function
> short_ene.F90: In function ‘short_ene’:
> short_ene.F90:302: warning: ‘df’ may be used uninitialized in this function
> debug.F90: In function ‘do_percentiles’:
> debug.F90:1631: warning: ‘apmed’ may be used uninitialized in this function
> debug.F90:1631: warning: ‘apsev5’ may be used uninitialized in this function
> debug.F90:1631: warning: ‘apninety’ may be used uninitialized in this
> function
> debug.F90:1632: warning: ‘apninety5’ may be used uninitialized in this
> function
> debug.F90:1632: warning: ‘apninety9’ may be used uninitialized in this
> function
> extra_pts.F90: In function ‘do_14_dipole’:
> extra_pts.F90:1705: warning: ‘lambda3’ may be used uninitialized in this
> function
> extra_pts.F90:1705: warning: ‘lambda5’ may be used uninitialized in this
> function
> extra_pts.F90:1705: warning: ‘lambda7’ may be used uninitialized in this
> function
> ar: creating sebomd.a
> ar: creating sys.a
> ....................
> .....................
> Warning: Unused dummy argument 'cn3' at (1)
> short_ene.F90:1543.66:
>
> eedmeth, mpoltype, dxdr, eedvir, cn3, cn4, cn5)
> 1
> Warning: Unused dummy argument 'cn4' at (1)
> short_ene.F90:1543.71:
>
> eedmeth, mpoltype, dxdr, eedvir, cn3, cn4, cn5)
> 1
> Warning: Unused dummy argument 'cn5' at (1)
> short_ene.F90: In function ‘short_ene_dip’:
> short_ene.F90:1590: warning: ‘lambda3’ may be used uninitialized in this
> function
> short_ene.F90:1590: warning: ‘lambda5’ may be used uninitialized in this
> function
> short_ene.F90:1590: warning: ‘lambda7’ may be used uninitialized in this
> function
> short_ene.F90: In function ‘short_ene’:
> short_ene.F90:302: warning: ‘df’ may be used uninitialized in this function
> extra_pts.F90: In function ‘do_14_dipole’:
> extra_pts.F90:1705: warning: ‘lambda3’ may be used uninitialized in this
> function
> extra_pts.F90:1705: warning: ‘lambda5’ may be used uninitialized in this
> function
> extra_pts.F90:1705: warning: ‘lambda7’ may be used uninitialized in this
> function
> Action_XtalSymm.cpp: In member function ‘bool
> Action_XtalSymm::OriginsAlign(Action_XtalSymm::XtalDock*, const
> std::vector<int, std::allocator<int> >&, int) const’:
> Action_XtalSymm.cpp:607: warning: ‘origx’ may be used uninitialized in this
> function
> Action_XtalSymm.cpp:607: warning: ‘origy’ may be used uninitialized in this
> function
> Action_XtalSymm.cpp:607: warning: ‘origz’ may be used uninitialized in this
> function
> Parm_Amber.cpp: In member function ‘int Parm_Amber::ReadPointers(int,
> Topology&, const Parm_Amber::FortranData&)’:
> Parm_Amber.cpp:576: warning: comparison between signed and unsigned integer
> expressions
> bind.c: In function ‘rl_translate_keyseq’:
> bind.c:445: warning: suggest parentheses around assignment used as truth
> value
> bind.c: In function ‘rl_parse_and_bind’:
> bind.c:1188: warning: suggest parentheses around assignment used as truth
> value
> bind.c:1279: warning: suggest parentheses around assignment used as truth
> value
> bind.c: In function ‘rl_function_dumper’:
> bind.c:2051: warning: suggest parentheses around assignment used as truth
> value
> bind.c: In function ‘rl_generic_bind’:
> bind.c:342: warning: ‘k.type’ may be used uninitialized in this function
> complete.c: In function ‘fnwidth’:
> complete.c:604: warning: implicit declaration of function ‘wcwidth’
> complete.c: In function ‘_rl_find_completion_word’:
> complete.c:886: warning: suggest parentheses around assignment used as
> truth value
> complete.c: In function ‘rl_completion_matches’:
> complete.c:1805: warning: suggest parentheses around assignment used as
> truth value
> complete.c: In function ‘rl_username_completion_function’:
> complete.c:1856: warning: suggest parentheses around assignment used as
> truth value
> display.c: In function ‘rl_redisplay’:
> display.c:714: warning: implicit declaration of function ‘wcwidth’
> display.c:462: warning: ‘n0’ may be used uninitialized in this function
> display.c:467: warning: ‘wc_width’ may be used uninitialized in this
> function
> histexpand.c: In function ‘get_history_event’:
> histexpand.c:206: warning: suggest parentheses around assignment used as
> truth value
> input.c: In function ‘rl_read_key’:
> input.c:423: warning: suggest parentheses around assignment used as truth
> value
> mbutil.c: In function ‘_rl_find_next_mbchar_internal’:
> mbutil.c:118: warning: implicit declaration of function ‘wcwidth’
> readline.c:1078: warning: ‘reset_default_bindings’ defined but not used
> tilde.c: In function ‘tilde_expand’:
> tilde.c:199: warning: suggest parentheses around assignment used as truth
> value
> tparam.c: In function ‘memory_out’:
> tparam.c:51: warning: implicit declaration of function ‘write’
> undo.c: In function ‘_rl_copy_undo_list’:
> undo.c:140: warning: ‘roving’ may be used uninitialized in this function
> version.c:2: warning: ‘version_string’ defined but not used
> binrestart.F90:110.8:
>
> if (NC_defineRemdIndices(ncid, remd_dimension, remd_indices_var_id,&
> 1
> Error: Missing actual argument for argument 'ismremd' at (1)
> make[3]: *** [binrestart.o] Error 1
> make[2]: *** [parallel] Error 2
> make[1]: *** [parallel] Error 2
> make: *** [install] Error 2
>
>
>
> >
> > (b) What OS are you using? What version of compilers ("gcc --version")?
> >
>
> lsb_release -a
> LSB Version:
> :core-4.0-amd64:core-4.0-noarch:graphics-4.0-amd64:graphics-4.0-noarch:printing-4.0-amd64:printing-4.0-noarch
> Distributor ID: CentOS
> Description: CentOS release 6.2 (Final)
> Release: 6.2
> Codename: Final
> --------------------------------------------------------------------------------------------------------------------------------------
> gcc --version
> gcc (GCC) 4.4.6 20110731 (Red Hat 4.4.6-3)
> Copyright (C) 2010 Free Software Foundation, Inc.
> ----------------------------------------------------------------------------------------------------------------------------------------
> mpicc -show
> gcc -ldl -I/opt/intel/impi/4.1.0.024/intel64/include -L/opt/intel/impi/
> 4.1.0.024/intel64/lib -Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker
> /opt/intel/impi/4.1.0.024/intel64/lib -Xlinker -rpath -Xlinker
> /opt/intel/mpi-rt/4.1 -lmpi -lmpigf -lmpigi -lrt -lpthread
>
> Thank you so much for your time.
>
> Sincerely,
> Sunita
> _______________________________________________
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> AMBER.ambermd.org
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Received on Thu Oct 10 2019 - 09:30:02 PDT
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