Inclusion of installed BigDFT fails using intel compiler
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
ABINIT |
In Progress
|
Low
|
Yann Pouillon | ||
BigDFT |
Fix Released
|
Medium
|
Damien |
Bug Description
Configure tests for BigDFT fail due to intel compiler interface checks as per:
http://
Full error (from config.log):
#######
configure:33887: checking whether BigDFT libraries work
configure:33902: ifort -o conftest -g -extend-source -vec-report0 -noaltparam -nofpscomp -I./bigdft/include -I./bigdft/include -I./bigdft/include -static-
intel -static-libgcc conftest.F90 -L./bigdft/lib -lbigdft-1 -labinit -lmkl_intel_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -L./bigdft/lib -lxc -lmpi
-L/apps/
-2011.3.
/intel/
/lib/gcc -L/home/
n/../lib/
dl >&5
conftest.F90(9): error #6633: The type of the actual argument differs from the type of the dummy argument. [IACCELERATION]
call init_restart_
-------
compilation aborted for conftest.F90 (code 1)
configure:33902: $? = 1
configure: failed program was:
| program main
|
| use bigdft_api
| implicit none
| integer iproc,iacceleration
| type(atoms_data) :: atoms
| type(restart_
| character(
| call init_restart_
|
| end
configure:33909: result: no
configure:34619: error: external bigdft support does not work
#######
I traced this back to the conftest.F90 declaring iacceleration as integer, which doesn't fit with the declaration of init_restart_
diff -ruN abinit-
--- abinit-
+++ abinit-
@@ -104,7 +104,8 @@
[[
use bigdft_api
implicit none
- integer iproc,iacceleration
+ integer iproc
+ type(input_
diff -ruN abinit-
--- abinit-
+++ abinit-
@@ -33891,7 +33891,8 @@
use bigdft_api
implicit none
- integer iproc,iacceleration
+ integer iproc
+ type(input_
Changed in bigdft: | |
status: | New → Fix Released |
importance: | Undecided → Medium |
Forwarded the bug report to BigDFT developers, in order to determine whether the failure comes from changes in the BigDFT API without notifying Abinit developers.