Docs preview for PR #2709.

Author: cuda-quantum-bot

pr-2709/_sources/applications/python/adapt-vqe.ipynb.txt

@@ -180,7 +180,7 @@
                 }
             ],
             "source": [
-                "from adapt_vqe.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
+                "from qchem.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
                 "\n",
                 "# Get the spin molecular hamiltonian\n",
                 "obi, tbi, nuclear_repulsion = generate_molecular_spin_ham_restricted(h1e,h2e, nuclear_repulsion)\n",
@@ -222,7 +222,7 @@
                 }
             ],
             "source": [
-                "from adapt_vqe.operator_pool import get_uccsd_pool\n",
+                "from qchem.operator_pool import get_uccsd_pool\n",
                 "\n",
                 "nelectrons = mol.nelectron\n",
                 "n_qubits= mf.mo_coeff.shape[1] * 2\n",

pr-2709/applications/python/adapt-vqe.html

@@ -785,7 +785,7 @@ <h1>ADAPT-VQE algorithm<a class="headerlink" href="#ADAPT-VQE-algorithm" title="
 <p>7- Perform a VQE experiment to re-optimize all parameters in the ansatz.</p>
 <p>8- go to step 4</p>
 <p>Below is a Schematic depiction of the ADAPT-VQE algorithm</p>
-<div><p><img alt="0d17ca5ae9a940c3933eca5084c5532e" class="no-scaled-link" src="../../_images/adapt-vqe.png" style="width: 800px;" /></p>
+<div><p><img alt="279f4ddb103b4262bb3f682d8f5d9aac" class="no-scaled-link" src="../../_images/adapt-vqe.png" style="width: 800px;" /></p>
 </div><div class="nbinput docutils container">
 <div class="prompt highlight-none notranslate"><div class="highlight"><pre><span></span>[1]:
 </pre></div>
@@ -884,7 +884,7 @@ <h2>Jordan Wigner:<a class="headerlink" href="#Jordan-Wigner:" title="Permalink
 <div class="prompt highlight-none notranslate"><div class="highlight"><pre><span></span>[3]:
 </pre></div>
 </div>
-<div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">adapt_vqe.hamiltonian</span><span class="w"> </span><span class="kn">import</span> <span class="n">jordan_wigner_fermion</span><span class="p">,</span> <span class="n">generate_molecular_spin_ham_restricted</span>
+<div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">qchem.hamiltonian</span><span class="w"> </span><span class="kn">import</span> <span class="n">jordan_wigner_fermion</span><span class="p">,</span> <span class="n">generate_molecular_spin_ham_restricted</span>
 
 <span class="c1"># Get the spin molecular hamiltonian</span>
 <span class="n">obi</span><span class="p">,</span> <span class="n">tbi</span><span class="p">,</span> <span class="n">nuclear_repulsion</span> <span class="o">=</span> <span class="n">generate_molecular_spin_ham_restricted</span><span class="p">(</span><span class="n">h1e</span><span class="p">,</span><span class="n">h2e</span><span class="p">,</span> <span class="n">nuclear_repulsion</span><span class="p">)</span>
@@ -942,7 +942,7 @@ <h3>Double excitation<a class="headerlink" href="#Double-excitation" title="Perm
 <div class="prompt highlight-none notranslate"><div class="highlight"><pre><span></span>[4]:
 </pre></div>
 </div>
-<div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">adapt_vqe.operator_pool</span><span class="w"> </span><span class="kn">import</span> <span class="n">get_uccsd_pool</span>
+<div class="input_area highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">qchem.operator_pool</span><span class="w"> </span><span class="kn">import</span> <span class="n">get_uccsd_pool</span>
 
 <span class="n">nelectrons</span> <span class="o">=</span> <span class="n">mol</span><span class="o">.</span><span class="n">nelectron</span>
 <span class="n">n_qubits</span><span class="o">=</span> <span class="n">mf</span><span class="o">.</span><span class="n">mo_coeff</span><span class="o">.</span><span class="n">shape</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">*</span> <span class="mi">2</span>

pr-2709/applications/python/adapt-vqe.ipynb

@@ -180,7 +180,7 @@
     }
    ],
    "source": [
-    "from adapt_vqe.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
+    "from qchem.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
     "\n",
     "# Get the spin molecular hamiltonian\n",
     "obi, tbi, nuclear_repulsion = generate_molecular_spin_ham_restricted(h1e,h2e, nuclear_repulsion)\n",
@@ -222,7 +222,7 @@
     }
    ],
    "source": [
-    "from adapt_vqe.operator_pool import get_uccsd_pool\n",
+    "from qchem.operator_pool import get_uccsd_pool\n",
     "\n",
     "nelectrons = mol.nelectron\n",
     "n_qubits= mf.mo_coeff.shape[1] * 2\n",

pr-2709/applications/python/adapt_qaoa.html

@@ -788,7 +788,7 @@ <h1>ADAPT-QAOA algorithm<a class="headerlink" href="#ADAPT-QAOA-algorithm" title
 parameter</p>
 <p>3- Optimize all parameters currently in the Ansatz <span class="math notranslate nohighlight">\(\beta_m, \gamma_m = 1, 2, ...k\)</span> such that <span class="math notranslate nohighlight">\(\braket{\psi (k)|H_C|\psi(k)}\)</span> is minimized, and return to the second step.</p>
 <p>Below is a schematic representation of the ADAPT-QAOA algorithm explained above.</p>
-<div><p><img alt="5d4dd850f2dc4e6ebffe9851ef03daec" class="no-scaled-link" src="../../_images/adapt-qaoa.png" style="width: 600px;" /></p>
+<div><p><img alt="e3a63459d2454cc486ccebd52b6907d4" class="no-scaled-link" src="../../_images/adapt-qaoa.png" style="width: 600px;" /></p>
 </div><div class="nbinput nblast docutils container">
 <div class="prompt highlight-none notranslate"><div class="highlight"><pre><span></span>[ ]:
 </pre></div>

pr-2709/applications/python/deutschs_algorithm.html

@@ -845,7 +845,7 @@ <h2>XOR <span class="math notranslate nohighlight">\(\oplus\)</span><a class="he
 </section>
 <section id="Quantum-oracles">
 <h2>Quantum oracles<a class="headerlink" href="#Quantum-oracles" title="Permalink to this heading">¶</a></h2>
-<p><img alt="8b27f0ef049b4571a2194d7dab5b623a" class="no-scaled-link" src="../../_images/oracle.png" style="width: 300px; height: 150px;" /></p>
+<p><img alt="38c5189cec2a4f0fad2430a4f19641c3" class="no-scaled-link" src="../../_images/oracle.png" style="width: 300px; height: 150px;" /></p>
 <p>Suppose we have <span class="math notranslate nohighlight">\(f(x): \{0,1\} \longrightarrow \{0,1\}\)</span>. We can compute this function on a quantum computer using oracles which we treat as black box functions that yield the output with an appropriate sequence of logical gates.</p>
 <p>Above you see an oracle represented as <span class="math notranslate nohighlight">\(U_f\)</span> which allows us to transform the state <span class="math notranslate nohighlight">\(\ket{x}\ket{y}\)</span> into:</p>
 <div class="math notranslate nohighlight">
@@ -893,7 +893,7 @@ <h2>Quantum parallelism<a class="headerlink" href="#Quantum-parallelism" title="
 <h2>Deutsch’s Algorithm:<a class="headerlink" href="#Deutsch's-Algorithm:" title="Permalink to this heading">¶</a></h2>
 <p>Our aim is to find out if <span class="math notranslate nohighlight">\(f: \{0,1\} \longrightarrow \{0,1\}\)</span> is a constant or a balanced function? If constant, <span class="math notranslate nohighlight">\(f(0) = f(1)\)</span>, and if balanced, <span class="math notranslate nohighlight">\(f(0) \neq f(1)\)</span>.</p>
 <p>We step through the circuit diagram below and follow the math after the application of each gate.</p>
-<p><img alt="74071224e79d4c119c6ec6ee98dbf464" class="no-scaled-link" src="../../_images/deutsch.png" style="width: 500px; height: 210px;" /></p>
+<p><img alt="dfc3f2a62af242919f11e381aabcc4a9" class="no-scaled-link" src="../../_images/deutsch.png" style="width: 500px; height: 210px;" /></p>
 <div class="math notranslate nohighlight">
 \[\ket{\psi_0}  =  \ket{01}
 \tag{1}\]</div>

pr-2709/applications/python/quantum_transformer.html

@@ -773,9 +773,9 @@ <h1>Optimizing Performance<a class="headerlink" href="#Optimizing-Performance" t
 <section id="Gate-Fusion">
 <h2>Gate Fusion<a class="headerlink" href="#Gate-Fusion" title="Permalink to this heading">¶</a></h2>
 <p>Gate fusion is an optimization technique where consecutive gates are combined into a single gate operation to improve the efficiency of the simulation (See figure below). By targeting the <code class="docutils literal notranslate"><span class="pre">nvidia-mgpu</span></code> backend and setting the <code class="docutils literal notranslate"><span class="pre">CUDAQ_MGPU_FUSE</span></code> environment variable, you can select the degree of fusion that takes place. A full command line example would look like <code class="docutils literal notranslate"><span class="pre">CUDAQ_MGPU_FUSE=4</span> <span class="pre">python</span> <span class="pre">c2h2VQE.py</span> <span class="pre">--target</span> <span class="pre">nvidia</span> <span class="pre">--target-option</span> <span class="pre">fp64,mgpu</span></code></p>
-<p><img alt="4fd2f3ae6026454e8ffef1647f099edd" src="../../_images/gate-fuse.png" /></p>
+<p><img alt="11d91435b52a4fe8a5c586757ed98094" src="../../_images/gate-fuse.png" /></p>
 <p>The importance of gate fusion is system dependent, but can have a large influence on the performance of the simulation. See the example below for a 24 qubit VQE experiment where changing the fusion level resulted in significant performance boosts.</p>
-<p><img alt="64e9af2955314052b370ebac8d16b3b3" src="../../_images/gatefusion.png" /></p>
+<p><img alt="bb89d8b95b0043889497521eb5d91145" src="../../_images/gatefusion.png" /></p>
 </section>
 </section>
 

pr-2709/examples/python/performance_optimizations.html

@@ -180,7 +180,7 @@
                 }
             ],
             "source": [
-                "from adapt_vqe.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
+                "from qchem.hamiltonian import jordan_wigner_fermion, generate_molecular_spin_ham_restricted\n",
                 "\n",
                 "# Get the spin molecular hamiltonian\n",
                 "obi, tbi, nuclear_repulsion = generate_molecular_spin_ham_restricted(h1e,h2e, nuclear_repulsion)\n",
@@ -222,7 +222,7 @@
                 }
             ],
             "source": [
-                "from adapt_vqe.operator_pool import get_uccsd_pool\n",
+                "from qchem.operator_pool import get_uccsd_pool\n",
                 "\n",
                 "nelectrons = mol.nelectron\n",
                 "n_qubits= mf.mo_coeff.shape[1] * 2\n",

pr-2709/searchindex.js

@@ -1043,6 +1043,7 @@ <h2>Building CUDA-Q<a class="headerlink" href="#building-cuda-q" title="Permalin
 <span class="w">    </span>--plat<span class="w"> </span><span class="si">${</span><span class="nv">MANYLINUX_PLATFORM</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>--exclude<span class="w"> </span>libcublas.so.11<span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>--exclude<span class="w"> </span>libcublasLt.so.11<span class="w"> </span><span class="se">\</span>
+<span class="w">    </span>--exclude<span class="w"> </span>libcurand.so.10<span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>--exclude<span class="w"> </span>libcusolver.so.11<span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>--exclude<span class="w"> </span>libcutensor.so.2<span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>--exclude<span class="w"> </span>libcutensornet.so.2<span class="w"> </span><span class="se">\</span>
@@ -1179,7 +1180,8 @@ <h3>CUDA Runtime Libraries<a class="headerlink" href="#cuda-runtime-libraries" t
 <span class="w">    </span>cuda-cudart-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>cuda-nvrtc-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>libcusolver-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
-<span class="w">    </span>libcublas-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>
+<span class="w">    </span>libcublas-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
+<span class="w">    </span>libcurand-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>
 <span class="k">if</span><span class="w"> </span><span class="o">[</span><span class="w"> </span><span class="k">$(</span><span class="nb">echo</span><span class="w"> </span><span class="si">${</span><span class="nv">CUDA_VERSION</span><span class="si">}</span><span class="w"> </span><span class="p">|</span><span class="w"> </span>cut<span class="w"> </span>-d<span class="w"> </span>.<span class="w"> </span>-f1<span class="k">)</span><span class="w"> </span>-gt<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="o">]</span><span class="p">;</span><span class="w"> </span><span class="k">then</span><span class="w"> </span>
 <span class="w">    </span>dnf<span class="w"> </span>install<span class="w"> </span>-y<span class="w"> </span>--nobest<span class="w"> </span>--setopt<span class="o">=</span><span class="nv">install_weak_deps</span><span class="o">=</span>False<span class="w"> </span><span class="se">\</span>
 <span class="w">        </span>libnvjitlink-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>

pr-2709/sphinx/applications/python/adapt-vqe.ipynb

@@ -1329,7 +1329,8 @@ <h3>Installation In Container Images<a class="headerlink" href="#installation-in
 <span class="w">    </span>cuda-cudart-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>cuda-nvrtc-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
 <span class="w">    </span>libcusolver-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
-<span class="w">    </span>libcublas-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>
+<span class="w">    </span>libcublas-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span><span class="w"> </span><span class="se">\</span>
+<span class="w">    </span>libcurand-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>
 <span class="k">if</span><span class="w"> </span><span class="o">[</span><span class="w"> </span><span class="k">$(</span><span class="nb">echo</span><span class="w"> </span><span class="si">${</span><span class="nv">CUDA_VERSION</span><span class="si">}</span><span class="w"> </span><span class="p">|</span><span class="w"> </span>cut<span class="w"> </span>-d<span class="w"> </span>.<span class="w"> </span>-f1<span class="k">)</span><span class="w"> </span>-gt<span class="w"> </span><span class="m">11</span><span class="w"> </span><span class="o">]</span><span class="p">;</span><span class="w"> </span><span class="k">then</span><span class="w"> </span>
 <span class="w">    </span>dnf<span class="w"> </span>install<span class="w"> </span>-y<span class="w"> </span>--nobest<span class="w"> </span>--setopt<span class="o">=</span><span class="nv">install_weak_deps</span><span class="o">=</span>False<span class="w"> </span><span class="se">\</span>
 <span class="w">        </span>libnvjitlink-<span class="si">${</span><span class="nv">version_suffix</span><span class="si">}</span>