Task 38666618

Name test_183-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5057_1
Workunit 31609310
Created 25 Oct 2026, 4:05:06 UTC
Sent 25 Oct 2026, 4:41:37 UTC
Report deadline 30 Oct 2026, 4:41:37 UTC
Received 25 Oct 2026, 6:57:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652183
Run time 24 min 4 sec
CPU time 21 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.68 MB
Peak swap size 11.44 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:33:37 (12764): wrapper (7.9.26016): starting
00:33:37 (12764): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:33:38 (12764): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:38 (12764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\14\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\14\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
00:56:53 (12764): C:/Windows/system32/cmd.exe exited; CPU time 1302.218750
00:56:53 (12764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 29310953 bytes.
Dumping objects ->
{3835255} normal block at 0x0000018D71CB20A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000018D71CB2030, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000018D71CB1FC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000018D71CB2260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000018D71CB1F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000018D73A3A630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000018D71CAC380, 8 bytes long.
 Data: <   r    > 00 00 18 72 8D 01 00 00 
{3833957} normal block at 0x0000018D71CAC920, 8 bytes long.
 Data: <  &#174;s    > 20 0B AE 73 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018D71CADBD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D71CA5410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000018D71CB30B0, 16 bytes long.
 Data: <&#184;*&#203;q            > B8 2A CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D71CB3880, 16 bytes long.
 Data: < *&#203;q            > 90 2A CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018D71CACBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000018D71CB2F70, 16 bytes long.
 Data: <h*&#203;q            > 68 2A CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018D71CB3150, 16 bytes long.
 Data: <@*&#203;q            > 40 2A CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018D71CB3A60, 16 bytes long.
 Data: < *&#203;q            > 18 2A CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018D71CB3100, 16 bytes long.
 Data: <&#240;)&#203;q            > F0 29 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018D71CB22D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000018D71CB2ED0, 16 bytes long.
 Data: <&#168;&#179;&#201;q            > A8 B3 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D71CADAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000018D71CB31A0, 16 bytes long.
 Data: < &#179;&#201;q            > 80 B3 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018D71CB3830, 16 bytes long.
 Data: <X&#179;&#201;q            > 58 B3 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018D71CB3060, 16 bytes long.
 Data: <0&#179;&#201;q            > 30 B3 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018D71CB3970, 16 bytes long.
 Data: < &#179;&#201;q            > 08 B3 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018D71CB31F0, 16 bytes long.
 Data: <&#224;&#178;&#201;q            > E0 B2 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D71CB3650, 16 bytes long.
 Data: <&#184;&#178;&#201;q            > B8 B2 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018D71CAD100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000018D71CB2E80, 16 bytes long.
 Data: < &#178;&#201;q            > 90 B2 C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018D71C9B290, 320 bytes long.
 Data: < .&#203;q     &#209;&#202;q    > 80 2E CB 71 8D 01 00 00 00 D1 CA 71 8D 01 00 00 
{274} normal block at 0x0000018D71CB3510, 16 bytes long.
 Data: <&#208;)&#203;q            > D0 29 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D71CB2D90, 16 bytes long.
 Data: <&#168;)&#203;q            > A8 29 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018D71CAD940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000018D71CB3010, 16 bytes long.
 Data: < )&#203;q            > 80 29 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D71CAD040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000018D71CB38D0, 16 bytes long.
 Data: <&#200;(&#203;q            > C8 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018D71CB3B50, 16 bytes long.
 Data: <&#160;(&#203;q            > A0 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D71CB3AB0, 16 bytes long.
 Data: <x(&#203;q            > 78 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018D71CB2E30, 16 bytes long.
 Data: <P(&#203;q            > 50 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018D71CB2DE0, 16 bytes long.
 Data: <((&#203;q            > 28 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D71CAC8D0, 16 bytes long.
 Data: < (&#203;q            > 00 28 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018D71CAC560, 16 bytes long.
 Data: <&#224; &#203;q            > E0 1E CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018D71CB1EE0, 40 bytes long.
 Data: <`&#197;&#202;q    0&#166;&#163;s    > 60 C5 CA 71 8D 01 00 00 30 A6 A3 73 8D 01 00 00 
{260} normal block at 0x0000018D71CAC240, 16 bytes long.
 Data: <&#224;'&#203;q            > E0 27 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018D71CABF20, 16 bytes long.
 Data: <&#184;'&#203;q            > B8 27 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018D71CACDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000018D71CABED0, 16 bytes long.
 Data: < '&#203;q            > 90 27 CB 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018D71CB2790, 992 bytes long.
 Data: <&#208;&#190;&#202;q    &#160;&#205;&#202;q    > D0 BE CA 71 8D 01 00 00 A0 CD CA 71 8D 01 00 00 
{92} normal block at 0x0000018D71CACC80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000018D71CAC6A0, 16 bytes long.
 Data: <P&#219;&#201;q            > 50 DB C9 71 8D 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000018D71C9DB50, 40 bytes long.
 Data: <&#160;&#198;&#202;q     &#204;&#202;q    > A0 C6 CA 71 8D 01 00 00 80 CC CA 71 8D 01 00 00 
{69} normal block at 0x0000018D71CAC5B0, 16 bytes long.
 Data: < &#234; k&#247;           > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D71CABE30, 16 bytes long.
 Data: <@&#233; k&#247;           > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D71CAC4C0, 16 bytes long.
 Data: <&#248;W&#133;k&#247;           > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D71CABD40, 16 bytes long.
 Data: <&#216;W&#133;k&#247;           > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D71CABBB0, 16 bytes long.
 Data: <P &#133;k&#247;           > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018D71CAC790, 16 bytes long.
 Data: <0 &#133;k&#247;           > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018D71CAC880, 16 bytes long.
 Data: <&#224; &#133;k&#247;           > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018D71CABCA0, 16 bytes long.
 Data: <  &#133;k&#247;           > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018D71CAC060, 16 bytes long.
 Data: <p &#133;k&#247;           > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018D71CABDE0, 16 bytes long.
 Data: < &#192;&#131;k&#247;           > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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