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--- spack-src/src/io_tools.F90 2021-10-08 13:30:58.000000000 +0900
+++ spack-src/src/io_tools.F90.new 2021-10-08 13:30:30.000000000 +0900
@@ -12,6 +12,9 @@
#if defined (__INTEL_COMPILER)
USE IFPORT
#endif
+#if defined(__FUJITSU)
+use service_routines
+#endif
IMPLICIT NONE
PRIVATE
--- spack-src/src/excor.F90 2021-10-08 16:04:49.000000000 +0900
+++ spack-src/src/excor.F90.new 2021-10-08 16:12:28.000000000 +0900
@@ -11,6 +11,9 @@
MODULE excor
+#if defined(__FUJITSU)
+ USE, intrinsic :: ieee_arithmetic
+#endif
USE io_tools
USE Tools
USE globalmath
@@ -589,8 +592,15 @@
deallocate(grad,gradmag,gxc,dgxcdr,dfxcdgbg)
! not sure why/if this is needed
do i=1,n
+#if defined(__FUJITSU)
+ if (ieee_support_nan(tmpv(i))) then
+ if (ieee_is_nan(tmpv(i))) tmpv(i)=0.d0
+ if (ieee_is_nan(exci(i))) exci(i)=0.d0
+ endif
+#else
if (isnan(tmpv(i))) tmpv(i)=0.d0
if (isnan(exci(i))) exci(i)=0.d0
+#endif
enddo
elseif (libxc_ismgga()) then
write(std_out,*) ' atompaw not yet available for mgga -- stop '
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