[AMBER] error while building non-GPU accelerated mpi version of amber

From: Homeo Morphism <homeo.morphizm.gmail.com>
Date: Thu, 1 Apr 2021 14:35:12 +0300

cmake version 3.19.4
gnu version 10.2.0
MPICH implementation of MPI.

I set -DMPI=TRUE and -DCUDA=FALSE in run_cmake. run_cmake runs without a
glitch.

make install exits on error. Here are the last bits of log:

Warning: Possible change of value in conversion from REAL(8) to INTEGER(4)
at (1) [-Wconversion]
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/dlascl2.f.o
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/dgeequb.f.o
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/ilazlr.f.o
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/ilazlc.f.o
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/dtrsen.f.o
/home/home/apps/amber20_src/AmberTools/src/lapack/dtrsen.f:432:0:

  432 | WORK( 1 ) = LWMIN
      |
Warning: ‘lwmin’ may be used uninitialized in this function
[-Wmaybe-uninitialized]
/home/home/apps/amber20_src/AmberTools/src/lapack/dtrsen.f:426:40:

  426 | ELSE IF( LIWORK.LT.LIWMIN .AND. .NOT.LQUERY ) THEN
      | ^
Warning: ‘liwmin’ may be used uninitialized in this function
[-Wmaybe-uninitialized]
[ 19%] Building Fortran object
AmberTools/src/lapack/CMakeFiles/lapack.dir/dtrsyl.f.o
[ 19%] Linking Fortran shared library liblapack.so
[ 19%] Built target lapack
[ 19%] Building Fortran object
AmberTools/src/arpack/CMakeFiles/arpack.dir/ivout.f.o
[ 19%] Building Fortran object
AmberTools/src/arpack/CMakeFiles/arpack.dir/dvout.f.o
[ 19%] Building Fortran object
AmberTools/src/arpack/CMakeFiles/arpack.dir/dgetv0.f.o
[ 19%] Building Fortran object
AmberTools/src/arpack/CMakeFiles/arpack.dir/dlaqrb.f.o
/home/home/apps/amber20_src/AmberTools/src/arpack/dlaqrb.f:497:0:

  497 | & cs, sn )
      |
Warning: ‘i2’ may be used uninitialized in this function
[-Wmaybe-uninitialized]
[ 19%] Building Fortran object
AmberTools/src/arpack/CMakeFiles/arpack.dir/dnaitr.f.o
/home/home/apps/amber20_src/AmberTools/src/arpack/dnaitr.f:658:35:

  376 | call dvout (logfil, 1, rnorm, ndigit,
      | 2
......
  658 | call dvout (logfil, 2, xtemp, ndigit,
      | 1
Error: Rank mismatch between actual argument at (1) and actual argument at
(2) (scalar and rank-1)
/home/home/apps/amber20_src/AmberTools/src/arpack/dnaitr.f:729:39:

  376 | call dvout (logfil, 1, rnorm, ndigit,
      | 2
......
  729 | call dvout (logfil, 2, xtemp, ndigit,
      | 1
Error: Rank mismatch between actual argument at (1) and actual argument at
(2) (scalar and rank-1)
make[2]: *** [AmberTools/src/arpack/CMakeFiles/arpack.dir/dnaitr.f.o] Error
1
make[1]: *** [AmberTools/src/arpack/CMakeFiles/arpack.dir/all] Error 2
make: *** [all] Error 2

Any suggestions? Thanks.
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Received on Thu Apr 01 2021 - 05:00:02 PDT
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