Yambo Community Forum

Posted: **Fri Nov 16, 2018 6:41 pm**

Hi,

I am trying to build Yambo as part of QE 6.3. It works perfectly on an older HPC environment (CentOS 6.9, Intel compiler suite, OpenMPI 1.6). The make there is OS make 3.81.

However, on a newer HPC machine where we have some very recent userland from Nix (Make version 4.2.1) building Yambo fails for any compiler, be that Intel 16 or GCC 5.4.0.

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>>>[Linking yambo]<<<
make[3]: Entering directory '/home/gshamov/devel/qe/qe-6.3/yambo-stable/driver'
/bin/sh: echo$: command not found
make[3]: *** [Makefile:85: yambo] Error 127
make[3]: Leaving directory '/home/gshamov/devel/qe/qe-6.3/yambo-stable/driver'

I have seen already an answer on this forum, which appears to be related to the same problem : viewtopic.php?f=1&t=1396 . In fact, I believe this is one of our users, based on the paths there. Now the answer suggests forcing using Intel icc as the preprocessor. It doesn't explain why pure GCC build fails when there is no Intel in the paths.

The offending line seem to be the call to $(driver) function that has teh @echo at the end.

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$(target): $(dep_file) $(objs)
        $(driver)$
        $(link)$
        $(modmove)$
        $(dircheck)$
        @mv $@ $(exec_prefix)

Then,

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#
# Functions
#
define driver
 @if test -f $(prefix)/driver/yambo.h; then $(cpp) $(cppflags) $(dopts)                     $(prefix)/driver/yambo.h > $(prefix)/driver/yambo_cpp.h; fi
 @if test -f $(prefix)/driver/ypp.h; then $(cpp) $(cppflags) $(dopts)                    $(prefix)/driver/ypp.h > $(prefix)/driver/ypp_cpp.h; fi
 @( eval $(cc) $(cflags) -c $(prefix)/driver/getopt.c > /dev/null)
 @( eval $(cc) $(cflags) $(dopts) -D_$@ -c $(prefix)/driver/driver.c > /dev/null)
 @rm -f $(prefix)/driver/yambo_cpp.h $(prefix)/driver/ypp_cpp.h
 @echo
endef

For some reason, the new make results in following expansion (from make -n in the driver directory):

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[gshamov@ driver]$[i] make -n[/i]
if test -f /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/yambo.h; then gcc -E -P  -D_MPI -D_FFTW -D_SCALAPACK -D_TIMING -D_linux                     /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/yambo.h > /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/yambo_cpp.h; fi
if test -f /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/ypp.h; then gcc -E -P  -D_MPI -D_FFTW -D_SCALAPACK -D_TIMING -D_linux                    /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/ypp.h > /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/ypp_cpp.h; fi
( eval mpicc -g -O2 -D_C_US -D_FORTRAN_US  -c /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/getopt.c > /dev/null)
( eval mpicc -g -O2 -D_C_US -D_FORTRAN_US  -D_MPI -D_FFTW -D_SCALAPACK -D_TIMING -D_linux -D_yambo -c /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/driver.c > /dev/null)
rm -f /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/yambo_cpp.h /home/gshamov/devel/qe/qe-6.3/YAMBO/driver/ypp_cpp.h
[b]echo$[/b]

See the DOLLAR? On CentOS6 it expands to the harmless and expected echo with no dollars.

I am at loss as to what to do about this issue. Could anyone please advise? Thank you very much in advance!

--
Grigory Shamov
WestGrid Site Lead / HPC Specialist
University of Manitoba
E2-588 EITC Building,
(204) 474-9625

Posted: **Sat Nov 17, 2018 10:12 pm**

Dear Grigory,

thanks for writing.
The problem seems related to some fragility of the make syntax used.
Have you tried any plain workaround like adding an empty line at the end of the definition of driver ?

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#
# Functions
#
define driver
 @if test -f $(prefix)/driver/yambo.h; then $(cpp) $(cppflags) $(dopts)                     $(prefix)/driver/yambo.h > $(prefix)/driver/yambo_cpp.h; fi
 @if test -f $(prefix)/driver/ypp.h; then $(cpp) $(cppflags) $(dopts)                    $(prefix)/driver/ypp.h > $(prefix)/driver/ypp_cpp.h; fi
 @( eval $(cc) $(cflags) -c $(prefix)/driver/getopt.c > /dev/null)
 @( eval $(cc) $(cflags) $(dopts) -D_$@ -c $(prefix)/driver/driver.c > /dev/null)
 @rm -f $(prefix)/driver/yambo_cpp.h $(prefix)/driver/ypp_cpp.h
 @echo

endef

In general, if you have to modify makefiles, you better edit ./sbin/make_makefiles.sh, which regenerates all makefiles (except the one in the yambo home dir).
This happens if makefiles are not there or if the __lock_xxx file is missing (I think).
In turn, ./sbin/make_makefiles.sh is generated by ./configure, starting from the ./sbin/make_makefiles.sh.in template.

take care
Andrea

Posted: **Mon Nov 19, 2018 11:50 pm**

Hi Andrea,

Adding an empty line after @echo in the definition of driver was tried by me. It gives the standalone $ which fails just as well.

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[gshamov@ driver]$ make

$
/bin/sh: $: command not found

Posted: **Wed Nov 21, 2018 2:51 pm**

Dear Grigory,

with the help of a colleague I tried to sort out why dollars were added to the end of those lines in the Makefile, and didn't come to a clear reason.
Dropping them, as from the patch below, works in our case. Does it solve the problem in your case ?

take care
Andrea

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diff --git a/sbin/make_makefile.sh.in b/sbin/make_makefile.sh.in
index ef9c9ba..9207204 100755
--- a/sbin/make_makefile.sh.in
+++ b/sbin/make_makefile.sh.in
@@ -118,17 +118,17 @@ rm -f $cdir/$ofile.c
 if [ "$mode" = "x" ] ; then 
 cat << EOF >> $cdir/Makefile
 \$(target): \$(dep_file) \$(objs)
-	\$(driver)\$
-	\$(link)\$
-	\$(modmove)\$ 
-	\$(dircheck)\$
+	\$(driver)
+	\$(link)
+	\$(modmove)
+	\$(dircheck)
 	@mv \$@ \$(exec_prefix)
 EOF
 else 
 rm -f ./lib/$target
 cat << EOF >> $cdir/Makefile
 \$(target): \$(dep_file) arcreate
-	\$(modmove)\$ 
+	\$(modmove) 
 EOF
 fi

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