Compiling QE 6.1 : configure-qe-hsw-omp.sh looks for a make.sys?
nek5091 opened this issue · comments
Hello, I am trying to build QE 6.1 (thank you for the previous suggestion about using ELPA 2016), however I am running into some problems with the build still.
It seems like building with configure-qe-hsw-omp.sh tries to use the gnu C compiler instead of icc (not sure if this is correct), and then it seems like there are some issues linking to F77 libraries, and the configure script looks for a make.sys file although QE 6.1 uses a make.inc file. I have attached the output of the configure script so you can see.
Running make pw -j
immediately after the configure step yields the following output:
qe_6.1$ make pw -j
Makefile:9: make.inc: No such file or directory
make: *** No rule to make target `make.inc'. Stop.
For your reference, I am building QE 6.1 on an Ubuntu 14.04 LTS machine with a Intel(R) Xeon(R) CPU E5-2687W v4 CPU and I am using Intel Parallel Studio 2016 Update 4.
Any help would be appreciated!
I double-checked with the exact same compiler version, and configured ELPA-2016.11.001 using configure-elpa-hsw-omp.sh. I then configured QE 6.1 using configure-qe-hsw-omp.sh. The log from the latter step is attached (./configure-qe-hsw-omp.sh 2>&1 | tee log.txt
).
Please note:
- You need to start over when configuring ELPA for multiple cases; the 2016.11.001 version has an improper
clean
target (not talking aboutdistclean
, which even wipes files that do not belong to the original Tarball). - For QE, you may want to
make clean
(or makemake distclean
) to start over from a previous build. Make sure to start from a fresh QE if you did this procedure already a while ago (outdated configure-get.sh, etc.).
If you like me to take a look (Guest login for your system, or similar), you can send me a PM by using name.familyname@intel.com (you can find my name on the GitHub account).
Thanks for looking into this. I have just repeated the process with freshly downloaded tarballs going through the complete build procedure and am getting the same result. The main problem again appears to occur when the configure script reaches the line
checking for dummy main to link with Fortran 77 libraries... unknown
which differs from your configure output. This is where the error occurs. Could this mean we installed the Intel compilers incorrectly? Or a path isn't being set up properly?
Is there any new status about this issue?
Please reopen if there is something to be done on XCONFIGURE's side. I also consider to update the QE script such that it checks if the MKL Cluster bits are present.