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