Task 38679436

Name test_412-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2255_1
Workunit 31621197
Created 26 Oct 2026, 20:35:01 UTC
Sent 26 Oct 2026, 20:35:10 UTC
Report deadline 31 Oct 2026, 20:35:10 UTC
Received 26 Oct 2026, 22:09:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520259
Run time 38 min 14 sec
CPU time 32 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,445.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.58 MB
Peak swap size 3.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:31:24 (5692): wrapper (7.9.26016): starting
22:31:24 (5692): 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
22:31:27 (5692): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:31:27 (5692): 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\0\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\0\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
23:08:29 (5692): C:/Windows/system32/cmd.exe exited; CPU time 1952.546875
23:08:29 (5692): 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: 31523879 bytes.
Dumping objects ->
{3835227} normal block at 0x0000012FC3D06950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x0000012FC3D068E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000012FC3D06870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x0000012FC3D06790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000012FC3D06800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x0000012FC5AB4D80, 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) : {3835139} normal block at 0x0000012FC3CFDE90, 8 bytes long.
 Data: <   &#196;/   > 00 00 1E C4 2F 01 00 00 
{3833955} normal block at 0x0000012FC3CFE160, 8 bytes long.
 Data: <p&#222;&#206;&#195;/   > 70 DE CE C3 2F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000012FC3D01CD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012FC3CF64C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000012FC3D05DA0, 16 bytes long.
 Data: <&#248;d&#208;&#195;/           > F8 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012FC3D053F0, 16 bytes long.
 Data: <&#208;d&#208;&#195;/           > D0 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012FC3D00140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000012FC3D058F0, 16 bytes long.
 Data: <&#168;d&#208;&#195;/           > A8 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012FC3D05800, 16 bytes long.
 Data: < d&#208;&#195;/           > 80 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012FC3D05D00, 16 bytes long.
 Data: <Xd&#208;&#195;/           > 58 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012FC3D05670, 16 bytes long.
 Data: <0d&#208;&#195;/           > 30 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012FC3D06C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000012FC3D05CB0, 16 bytes long.
 Data: <&#200;&#249;&#206;&#195;/           > C8 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012FC3D000E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000012FC3D05490, 16 bytes long.
 Data: <&#160;&#249;&#206;&#195;/           > A0 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012FC3D05350, 16 bytes long.
 Data: <x&#249;&#206;&#195;/           > 78 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012FC3D05AD0, 16 bytes long.
 Data: <P&#249;&#206;&#195;/           > 50 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012FC3D05C10, 16 bytes long.
 Data: <(&#249;&#206;&#195;/           > 28 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012FC3D05260, 16 bytes long.
 Data: < &#249;&#206;&#195;/           > 00 F9 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012FC3D052B0, 16 bytes long.
 Data: <&#216;&#248;&#206;&#195;/           > D8 F8 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012FC3CFFF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000012FC3D05D50, 16 bytes long.
 Data: <&#176;&#248;&#206;&#195;/           > B0 F8 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012FC3CEF8B0, 320 bytes long.
 Data: <P]&#208;&#195;/   `&#255;&#207;&#195;/   > 50 5D D0 C3 2F 01 00 00 60 FF CF C3 2F 01 00 00 
{273} normal block at 0x0000012FC3D05A80, 16 bytes long.
 Data: < d&#208;&#195;/           > 10 64 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012FC3D05A30, 16 bytes long.
 Data: <&#232;c&#208;&#195;/           > E8 63 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012FC3D00080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000012FC3D06110, 16 bytes long.
 Data: <&#192;c&#208;&#195;/           > C0 63 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012FC3CFF9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000012FC3D058A0, 16 bytes long.
 Data: < c&#208;&#195;/           > 08 63 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012FC3D057B0, 16 bytes long.
 Data: <&#224;b&#208;&#195;/           > E0 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012FC3D05710, 16 bytes long.
 Data: <&#184;b&#208;&#195;/           > B8 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012FC3D05EE0, 16 bytes long.
 Data: < b&#208;&#195;/           > 90 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012FC3D055D0, 16 bytes long.
 Data: <hb&#208;&#195;/           > 68 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012FC3D05BC0, 16 bytes long.
 Data: <@b&#208;&#195;/           > 40 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012FC3D05B70, 16 bytes long.
 Data: <&#176;&#245;&#206;&#195;/           > B0 F5 CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012FC3CEF5B0, 40 bytes long.
 Data: <p[&#208;&#195;/    M&#171;&#197;/   > 70 5B D0 C3 2F 01 00 00 80 4D AB C5 2F 01 00 00 
{259} normal block at 0x0000012FC3D05990, 16 bytes long.
 Data: < b&#208;&#195;/           > 20 62 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012FC3D05940, 16 bytes long.
 Data: <&#248;a&#208;&#195;/           > F8 61 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012FC3CFFE40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000012FC3D05B20, 16 bytes long.
 Data: <&#208;a&#208;&#195;/           > D0 61 D0 C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000012FC3D061D0, 992 bytes long.
 Data: < [&#208;&#195;/   @&#254;&#207;&#195;/   > 20 5B D0 C3 2F 01 00 00 40 FE CF C3 2F 01 00 00 
{91} normal block at 0x0000012FC3CFFD80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000012FC3CFD350, 16 bytes long.
 Data: <p&#205;&#206;&#195;/           > 70 CD CE C3 2F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000012FC3CECD70, 40 bytes long.
 Data: <P&#211;&#207;&#195;/    &#253;&#207;&#195;/   > 50 D3 CF C3 2F 01 00 00 80 FD CF C3 2F 01 00 00 
{68} normal block at 0x0000012FC3CFD300, 16 bytes long.
 Data: < &#234;&#140;&#247;&#247;           > 80 EA 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012FC3CFDBC0, 16 bytes long.
 Data: <@&#233;&#140;&#247;&#247;           > 40 E9 8C F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012FC3CFDC10, 16 bytes long.
 Data: <&#248;W&#137;&#247;&#247;           > F8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012FC3CFDDA0, 16 bytes long.
 Data: <&#216;W&#137;&#247;&#247;           > D8 57 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012FC3CFDF80, 16 bytes long.
 Data: <P &#137;&#247;&#247;           > 50 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012FC3CFDB70, 16 bytes long.
 Data: <0 &#137;&#247;&#247;           > 30 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012FC3CFDB20, 16 bytes long.
 Data: <&#224; &#137;&#247;&#247;           > E0 02 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012FC3CFD760, 16 bytes long.
 Data: <  &#137;&#247;&#247;           > 10 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012FC3CFD490, 16 bytes long.
 Data: <p &#137;&#247;&#247;           > 70 04 89 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000012FC3CFE110, 16 bytes long.
 Data: < &#192;&#135;&#247;&#247;           > 18 C0 87 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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