Task 38670182

Name test_992-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0305_0
Workunit 31612445
Created 25 Oct 2026, 16:43:15 UTC
Sent 25 Oct 2026, 16:43:27 UTC
Report deadline 30 Oct 2026, 16:43:27 UTC
Received 25 Oct 2026, 22:46:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649275
Run time 38 min 54 sec
CPU time 38 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.27 MB
Peak swap size 2.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:03:06 (20900): wrapper (7.9.26016): starting
15:03:06 (20900): 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
15:03:08 (20900): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:03:08 (20900): 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
15:45:50 (20900): C:/Windows/system32/cmd.exe exited; CPU time 2291.250000
15:45:50 (20900): 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: 39104499 bytes.
Dumping objects ->
{3835245} normal block at 0x00000218FD2C5CE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000218FD2C5C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000218FD2C5C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x00000218FD2C5FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000218FD2C5F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x00000218FEF46E70, 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) : {3835157} normal block at 0x00000218FD2BE500, 8 bytes long.
 Data: <  (&#253;    > 00 00 28 FD 18 02 00 00 
{3833955} normal block at 0x00000218FD2BEF00, 8 bytes long.
 Data: <&#192;;,&#253;    > C0 3B 2C FD 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000218FD2C0070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000218FD2AE740, 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 0x00000218FD2C4C00, 16 bytes long.
 Data: <&#168;W,&#253;            > A8 57 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000218FD2C4A20, 16 bytes long.
 Data: < W,&#253;            > 80 57 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000218FD2BF0C0, 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 0x00000218FD2C4390, 16 bytes long.
 Data: <XW,&#253;            > 58 57 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000218FD2C4E30, 16 bytes long.
 Data: <0W,&#253;            > 30 57 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000218FD2C4930, 16 bytes long.
 Data: < W,&#253;            > 08 57 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000218FD2C4840, 16 bytes long.
 Data: <&#224;V,&#253;            > E0 56 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000218FD2C5E30, 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 0x00000218FD2C4AC0, 16 bytes long.
 Data: < &#180;*&#253;            > 18 B4 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218FD2BF960, 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 0x00000218FD2C47F0, 16 bytes long.
 Data: <&#240;&#179;*&#253;            > F0 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000218FD2C4160, 16 bytes long.
 Data: <&#200;&#179;*&#253;            > C8 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000218FD2C49D0, 16 bytes long.
 Data: <&#160;&#179;*&#253;            > A0 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000218FD2C4B60, 16 bytes long.
 Data: <x&#179;*&#253;            > 78 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000218FD2C4250, 16 bytes long.
 Data: <P&#179;*&#253;            > 50 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218FD2C4980, 16 bytes long.
 Data: <(&#179;*&#253;            > 28 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000218FD2BFA80, 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 0x00000218FD2C4DE0, 16 bytes long.
 Data: < &#179;*&#253;            > 00 B3 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000218FD2AB300, 320 bytes long.
 Data: <&#224;M,&#253;     &#250;+&#253;    > E0 4D 2C FD 18 02 00 00 80 FA 2B FD 18 02 00 00 
{273} normal block at 0x00000218FD2C4D90, 16 bytes long.
 Data: <&#192;V,&#253;            > C0 56 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000218FD2C48E0, 16 bytes long.
 Data: < V,&#253;            > 98 56 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000218FD2BF7E0, 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 0x00000218FD2C47A0, 16 bytes long.
 Data: <pV,&#253;            > 70 56 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000218FD2BF720, 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 0x00000218FD2C4520, 16 bytes long.
 Data: <&#184;U,&#253;            > B8 55 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000218FD2C45C0, 16 bytes long.
 Data: < U,&#253;            > 90 55 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000218FD2C4D40, 16 bytes long.
 Data: <hU,&#253;            > 68 55 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000218FD2C4F70, 16 bytes long.
 Data: <@U,&#253;            > 40 55 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000218FD2C4200, 16 bytes long.
 Data: < U,&#253;            > 18 55 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000218FD2C4F20, 16 bytes long.
 Data: <&#240;T,&#253;            > F0 54 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218FD2C4CA0, 16 bytes long.
 Data: <p&#192;*&#253;            > 70 C0 2A FD 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000218FD2AC070, 40 bytes long.
 Data: <&#160;L,&#253;    pn&#244;&#254;    > A0 4C 2C FD 18 02 00 00 70 6E F4 FE 18 02 00 00 
{259} normal block at 0x00000218FD2C46B0, 16 bytes long.
 Data: <&#208;T,&#253;            > D0 54 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000218FD2C4CF0, 16 bytes long.
 Data: <&#168;T,&#253;            > A8 54 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000218FD2BF6C0, 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 0x00000218FD2C4B10, 16 bytes long.
 Data: < T,&#253;            > 80 54 2C FD 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000218FD2C5480, 992 bytes long.
 Data: < K,&#253;    &#192;&#246;+&#253;    > 10 4B 2C FD 18 02 00 00 C0 F6 2B FD 18 02 00 00 
{91} normal block at 0x00000218FD2BF900, 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 0x00000218FD2BE5A0, 16 bytes long.
 Data: < &#222;+&#253;            > 80 DE 2B FD 18 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000218FD2BDE80, 40 bytes long.
 Data: <&#160;&#229;+&#253;     &#249;+&#253;    > A0 E5 2B FD 18 02 00 00 00 F9 2B FD 18 02 00 00 
{68} normal block at 0x00000218FD2BE050, 16 bytes long.
 Data: < &#234;H}&#247;           > 80 EA 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000218FD2BEFA0, 16 bytes long.
 Data: <@&#233;H}&#247;           > 40 E9 48 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000218FD2BEA50, 16 bytes long.
 Data: <&#248;WE}&#247;           > F8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000218FD2BE780, 16 bytes long.
 Data: <&#216;WE}&#247;           > D8 57 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000218FD2BE4B0, 16 bytes long.
 Data: <P E}&#247;           > 50 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000218FD2BE140, 16 bytes long.
 Data: <0 E}&#247;           > 30 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000218FD2BED20, 16 bytes long.
 Data: <&#224; E}&#247;           > E0 02 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000218FD2BEAA0, 16 bytes long.
 Data: <  E}&#247;           > 10 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000218FD2BECD0, 16 bytes long.
 Data: <p E}&#247;           > 70 04 45 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000218FD2BEAF0, 16 bytes long.
 Data: < &#192;C}&#247;           > 18 C0 43 7D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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