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https://github.com/TREX-CoE/qmckl.git
synced 2024-08-14 16:58:38 +02:00
Correctly ignore problematic checks for vfc_ci
Some checks in the AO test were not correctly ignored by the preprocessor when vfc_ci support was enabled. This caused the test to fail unexpectedly and made it impossible to get data from it in vfc_ci.
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@ -1768,7 +1768,6 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
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A(i) = 0.0013 * dble(ishft(1,i))
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A(i) = 0.0013 * dble(ishft(1,i))
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end do
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end do
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test_qmckl_ao_gaussian_vgl = &
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test_qmckl_ao_gaussian_vgl = &
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qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
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qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
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@ -1787,8 +1786,9 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
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vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
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vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
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DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon))
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DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon))
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#ifndef VFC_CI
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if (test_qmckl_ao_gaussian_vgl /= 0) return
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if (test_qmckl_ao_gaussian_vgl /= 0) return
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#endif
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test_qmckl_ao_gaussian_vgl = -1
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test_qmckl_ao_gaussian_vgl = -1
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@ -1822,8 +1822,8 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
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#endif
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#endif
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test_qmckl_ao_gaussian_vgl = 0
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test_qmckl_ao_gaussian_vgl = 0
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deallocate(VGL)
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deallocate(VGL)
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end function test_qmckl_ao_gaussian_vgl
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end function test_qmckl_ao_gaussian_vgl
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#+end_src
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#+end_src
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@ -2846,7 +2846,6 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
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end do
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end do
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test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
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test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
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print *, "test_qmckl_ao_power", test_qmckl_ao_power
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vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
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vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
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DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
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DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
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@ -3208,7 +3207,7 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
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if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
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if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
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if (n /= d) return
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if (n /= d) return
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#ifdef VFC_CI
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#ifndef VFC_CI
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do j=1,n
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do j=1,n
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test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE
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test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE
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do i=1,3
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do i=1,3
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