Task 38688297

Name test_454-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9391_0
Workunit 31629655
Created 28 Oct 2026, 12:58:06 UTC
Sent 28 Oct 2026, 12:58:15 UTC
Report deadline 2 Nov 2026, 12:58:15 UTC
Received 28 Oct 2026, 15:41:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629236
Run time 1 hours 26 min 42 sec
CPU time 1 hours 17 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,386.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.56 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:13:11 (21216): wrapper (7.9.26016): starting
15:13:11 (21216): 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
15:13:13 (21216): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:13:13 (21216): 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\12\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\12\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
16:38:16 (21216): C:/Windows/system32/cmd.exe exited; CPU time 4635.703125
16:38:16 (21216): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 91914580 bytes.
Dumping objects ->
{3835279} normal block at 0x00000225C0BE12C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x00000225C0BE1090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000225C0BE16B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x00000225C0BE1170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000225C0BE1640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x00000225C0CD5040, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x00000225C0CEB060, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x00000225BF1F82F0, 8 bytes long.
 Data: <   &#191;%   > 00 00 1A BF 25 02 00 00 
{3834561} normal block at 0x00000225C0CEB6A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000225BF1F7FD0, 8 bytes long.
 Data: <&#160;)&#214;&#192;%   > A0 29 D6 C0 25 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000225BF202360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000225BF1ED870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000225BF203530, 16 bytes long.
 Data: <XD &#191;%           > 58 44 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000225BF203440, 16 bytes long.
 Data: <0D &#191;%           > 30 44 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000225BF1FE170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000225BF2033F0, 16 bytes long.
 Data: < D &#191;%           > 08 44 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000225BF2032B0, 16 bytes long.
 Data: <&#224;C &#191;%           > E0 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000225BF203260, 16 bytes long.
 Data: <&#184;C &#191;%           > B8 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000225BF203210, 16 bytes long.
 Data: < C &#191;%           > 90 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000225BF1FC290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000225BF2031C0, 16 bytes long.
 Data: < ] &#191;%           > 98 5D 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000225BF1FE110, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000225BF2040C0, 16 bytes long.
 Data: <p] &#191;%           > 70 5D 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000225BF2039E0, 16 bytes long.
 Data: <H] &#191;%           > 48 5D 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000225BF204070, 16 bytes long.
 Data: < ] &#191;%           > 20 5D 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000225BF2038F0, 16 bytes long.
 Data: <&#248;\ &#191;%           > F8 5C 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000225BF203710, 16 bytes long.
 Data: <&#208;\ &#191;%           > D0 5C 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000225BF204020, 16 bytes long.
 Data: <&#168;\ &#191;%           > A8 5C 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000225BF1FDF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000225BF203670, 16 bytes long.
 Data: < \ &#191;%           > 80 5C 1E BF 25 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000225BF1E5C80, 320 bytes long.
 Data: <p6 &#191;%    &#223; &#191;%   > 70 36 20 BF 25 02 00 00 90 DF 1F BF 25 02 00 00 
{271} normal block at 0x00000225BF203350, 16 bytes long.
 Data: <pC &#191;%           > 70 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000225BF203FD0, 16 bytes long.
 Data: <HC &#191;%           > 48 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000225BF1FE0B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000225BF203D00, 16 bytes long.
 Data: < C &#191;%           > 20 43 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000225BF1FE050, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000225BF203E90, 16 bytes long.
 Data: <hB &#191;%           > 68 42 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000225BF203850, 16 bytes long.
 Data: <@B &#191;%           > 40 42 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000225BF203CB0, 16 bytes long.
 Data: < B &#191;%           > 18 42 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000225BF203E40, 16 bytes long.
 Data: <&#240;A &#191;%           > F0 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000225BF203C60, 16 bytes long.
 Data: <&#200;A &#191;%           > C8 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000225BF203300, 16 bytes long.
 Data: <&#160;A &#191;%           > A0 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000225BF2038A0, 16 bytes long.
 Data: <@&#193; &#191;%           > 40 C1 1F BF 25 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000225BF1FC140, 40 bytes long.
 Data: <&#160;8 &#191;%   @P&#205;&#192;%   > A0 38 20 BF 25 02 00 00 40 50 CD C0 25 02 00 00 
{257} normal block at 0x00000225BF203DF0, 16 bytes long.
 Data: < A &#191;%           > 80 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000225BF203B70, 16 bytes long.
 Data: <XA &#191;%           > 58 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000225BF1FE6B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000225BF2037B0, 16 bytes long.
 Data: <0A &#191;%           > 30 41 20 BF 25 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000225BF204130, 992 bytes long.
 Data: <&#176;7 &#191;%   &#176;&#230; &#191;%   > B0 37 20 BF 25 02 00 00 B0 E6 1F BF 25 02 00 00 
{89} normal block at 0x00000225BF1FDC90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000225BF1F8020, 16 bytes long.
 Data: < &#194; &#191;%           > 20 C2 1F BF 25 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000225BF1FC220, 40 bytes long.
 Data: <   &#191;%    &#220; &#191;%   > 20 80 1F BF 25 02 00 00 90 DC 1F BF 25 02 00 00 
{66} normal block at 0x00000225BF1F7E40, 16 bytes long.
 Data: < &#234; &#177;&#247;           > 80 EA 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000225BF1F7C60, 16 bytes long.
 Data: <@&#233; &#177;&#247;           > 40 E9 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000225BF1F7440, 16 bytes long.
 Data: <&#248;W&#154;&#177;&#247;           > F8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000225BF1F7BC0, 16 bytes long.
 Data: <&#216;W&#154;&#177;&#247;           > D8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000225BF1F7940, 16 bytes long.
 Data: <P &#154;&#177;&#247;           > 50 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000225BF1F7A30, 16 bytes long.
 Data: <0 &#154;&#177;&#247;           > 30 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000225BF1F7CB0, 16 bytes long.
 Data: <&#224; &#154;&#177;&#247;           > E0 02 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000225BF1F7DA0, 16 bytes long.
 Data: <  &#154;&#177;&#247;           > 10 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000225BF1F78F0, 16 bytes long.
 Data: <p &#154;&#177;&#247;           > 70 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000225BF1F75D0, 16 bytes long.
 Data: < &#192; &#177;&#247;           > 18 C0 98 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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