<div dir="ltr"><div><div><div>Respected experts/Friends,<br></div> I have tried to install quantum espresso-5.1.2 in Xeon dual core cluster consisting of 12 nodes. While in installation process I got the following errors and can not install it in the cluster. While I typed make all in the terminal it creates three iotk executables and exited. <br></div><br>
<p style="margin-bottom:0cm">[root@master-node espresso-5.1.2]#
./configure --enable-parallel</p>
<p style="margin-bottom:0cm">checking build system type...
x86_64-unknown-linux-gnu</p>
<p style="margin-bottom:0cm">detected architecture... x86_64</p>.<br>.<br>.<br><p style="margin-bottom:0cm"><b>configure: WARNING: using cross tools
not prefixed with host triplet</b></p>
<p style="margin-bottom:0cm">checking for Fortran compiler default
output file name... a.out</p>
<p style="margin-bottom:0cm">checking whether the Fortran compiler
works... yes</p>
<p style="margin-bottom:0cm">checking whether we are cross
compiling... yes</p>
<p style="margin-bottom:0cm">checking for suffix of executables...
</p>
<p style="margin-bottom:0cm">checking for suffix of object files...
o</p>
<p style="margin-bottom:0cm">checking whether we are using the GNU
Fortran compiler... yes</p>
<p style="margin-bottom:0cm">checking whether gfortran accepts -g...
yes</p>
<p style="margin-bottom:0cm">checking for Fortran flag to compile
.f90 files... none</p>
<p style="margin-bottom:0cm">checking for mpif90... mpif90</p>
<p style="margin-bottom:0cm">checking whether we are using the GNU
Fortran compiler... yes</p>
<p style="margin-bottom:0cm">checking whether mpif90 accepts -g...
yes</p>
<p style="margin-bottom:0cm">checking version of mpif90... gfortran
4.1.2</p>
<p style="margin-bottom:0cm">setting F90... gfortran</p>
<p style="margin-bottom:0cm">setting MPIF90... mpif90</p>
<p style="margin-bottom:0cm">checking for cc... cc</p>
<p style="margin-bottom:0cm">checking whether we are using the GNU C
compiler... yes</p>
<p style="margin-bottom:0cm">checking whether cc accepts -g... yes</p>
<p style="margin-bottom:0cm">checking for cc option to accept ISO
C89... none needed</p>
<p style="margin-bottom:0cm">setting CC... cc</p>
<p style="margin-bottom:0cm">checking how to run the C
preprocessor... cc -E</p>
<p style="margin-bottom:0cm">checking for grep that handles long
lines and -e... /bin/grep</p>
<p style="margin-bottom:0cm">checking for egrep... /bin/grep -E</p>
<p style="margin-bottom:0cm">checking for ANSI C header files... yes</p>
<p style="margin-bottom:0cm">checking for sys/types.h... yes</p>
<p style="margin-bottom:0cm">checking for sys/stat.h... yes</p>
<p style="margin-bottom:0cm">checking for stdlib.h... yes</p>
<p style="margin-bottom:0cm">checking for string.h... yes</p>
<p style="margin-bottom:0cm">checking for memory.h... yes</p>
<p style="margin-bottom:0cm">checking for strings.h... yes</p>
<p style="margin-bottom:0cm">checking for inttypes.h... yes</p>
<p style="margin-bottom:0cm">checking for stdint.h... yes</p>
<p style="margin-bottom:0cm">checking for unistd.h... yes</p>
<p style="margin-bottom:0cm">checking size of int *... 8</p>
<p style="margin-bottom:0cm">checking malloc.h usability... yes</p>
<p style="margin-bottom:0cm">checking malloc.h presence... yes</p>
<p style="margin-bottom:0cm">checking for malloc.h... yes</p>
<p style="margin-bottom:0cm">checking for struct mallinfo.arena...
yes</p>
<p style="margin-bottom:0cm">checking for gfortran... gfortran</p>
<p style="margin-bottom:0cm">checking whether we are using the GNU
Fortran 77 compiler... yes</p>
<p style="margin-bottom:0cm">checking whether gfortran accepts -g...
yes</p>
<p style="margin-bottom:0cm">setting F77... gfortran</p>
<p style="margin-bottom:0cm">using F90... gfortran</p><p style="margin-bottom:0cm">.</p><p style="margin-bottom:0cm">.</p><p style="margin-bottom:0cm">.</p><p style="margin-bottom:0cm">
</p><p style="margin-bottom:0cm">ESPRESSO can take advantage of several
optimized numerical libraries</p>
<p style="margin-bottom:0cm">(essl, fftw, mkl...). This configure
script attempts to find them,</p>
<p style="margin-bottom:0cm">but may fail if they have been
installed in non-standard locations.</p>
<p style="margin-bottom:0cm">If a required library is not found, the
local copy will be compiled.</p>
<p style="margin-bottom:0cm"><br>
</p>
<p style="margin-bottom:0cm">The following libraries have been
found:</p>
<p style="margin-bottom:0cm">
BLAS_LIBS=/home/espresso-5.1.2/BLAS/blas.a</p>
<p style="margin-bottom:0cm">
LAPACK_LIBS=/home/espresso-5.1.2/lapack-3.2/lapack.a</p>
<p style="margin-bottom:0cm"> FFT_LIBS=</p>
<p style="margin-bottom:0cm">Please check if this is what you
expect.</p>
<br></div><b>Then I entered make all in the terminal I got the following error and the programme stopped</b><br>
<p style="margin-bottom:0cm">Error: Expecting END DO statement at
(1)</p>
<p style="margin-bottom:0cm">make[1]: *** [bz_form.o] Error 1</p>
<p style="margin-bottom:0cm">make[1]: Leaving directory
`/home/espresso-5.1.2/Modules'</p>
<p style="margin-bottom:0cm">make: *** [mods] Error 1</p>
<p style="margin-bottom:0cm">[root@master-node espresso-5.1.2]# <br></p><p style="margin-bottom:0cm"> Thank you so much.<br></p>
<br clear="all"><div><div><div><div><div><div class="gmail_signature"><div dir="ltr"><div><div><div><div style="margin-left:40px;text-align:right"> With Regards,<br></div><div style="text-align:right">A.Suresh,<br></div></div><div style="text-align:right">Project Fellow,<br></div></div><div style="text-align:right">Madurai Kamaraj University,<br></div></div><div style="text-align:right">Madurai.<br></div></div></div></div>
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