Task 38680205

Name test_55-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9258_0
Workunit 31621937
Created 26 Oct 2026, 23:09:26 UTC
Sent 26 Oct 2026, 23:09:34 UTC
Report deadline 31 Oct 2026, 23:09:34 UTC
Received 27 Oct 2026, 0:23:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 4 min 33 sec
CPU time 58 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.89 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:20:10 (11024): wrapper (7.9.26016): starting
16:20:10 (11024): 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
16:20:17 (11024): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:20:17 (11024): 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
17:22:58 (11024): C:/Windows/system32/cmd.exe exited; CPU time 3516.687500
17:22:58 (11024): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 59387545 bytes.
Dumping objects ->
{3835449} normal block at 0x0000026C18AAA100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000026C18A84350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000026C18A842E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000026C18A84190, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000026C18A84270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x0000026C1A86C420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000026C18ADCC80, 140 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) : {3835360} normal block at 0x0000026C18A7F570, 8 bytes long.
 Data: <  &#249; l   > 00 00 F9 18 6C 02 00 00 
{3834646} normal block at 0x0000026C18ADC940, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000026C18A7F2F0, 8 bytes long.
 Data: <&#176;&#140;&#170; l   > B0 8C AA 18 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026C18A804E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C18A75340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000026C18A856E0, 16 bytes long.
 Data: <hI&#168; l           > 68 49 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026C18A85690, 16 bytes long.
 Data: <@I&#168; l           > 40 49 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026C18A7E360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000026C18A84C90, 16 bytes long.
 Data: < I&#168; l           > 18 49 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026C18A84B00, 16 bytes long.
 Data: <&#240;H&#168; l           > F0 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026C18A84CE0, 16 bytes long.
 Data: <&#200;H&#168; l           > C8 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026C18A85370, 16 bytes long.
 Data: <&#160;H&#168; l           > A0 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026C18A843C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000026C18A85230, 16 bytes long.
 Data: < &#133;&#167; l           > 08 85 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026C18A7E1E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000026C18A851E0, 16 bytes long.
 Data: <&#224;&#132;&#167; l           > E0 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026C18A85500, 16 bytes long.
 Data: <&#184;&#132;&#167; l           > B8 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C18A853C0, 16 bytes long.
 Data: < &#132;&#167; l           > 90 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026C18A85320, 16 bytes long.
 Data: <h&#132;&#167; l           > 68 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026C18A84E20, 16 bytes long.
 Data: <@&#132;&#167; l           > 40 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026C18A85870, 16 bytes long.
 Data: < &#132;&#167; l           > 18 84 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026C18A7DAC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000026C18A854B0, 16 bytes long.
 Data: <&#240;&#131;&#167; l           > F0 83 A7 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026C18A783F0, 320 bytes long.
 Data: <&#176;T&#168; l   &#192;&#218;&#167; l   > B0 54 A8 18 6C 02 00 00 C0 DA A7 18 6C 02 00 00 
{272} normal block at 0x0000026C18A84DD0, 16 bytes long.
 Data: < H&#168; l           > 80 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026C18A84C40, 16 bytes long.
 Data: <XH&#168; l           > 58 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026C18A7E660, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000026C18A84E70, 16 bytes long.
 Data: <0H&#168; l           > 30 48 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C18A7E840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000026C18A84AB0, 16 bytes long.
 Data: <xG&#168; l           > 78 47 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026C18A85640, 16 bytes long.
 Data: <PG&#168; l           > 50 47 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C18A850F0, 16 bytes long.
 Data: <(G&#168; l           > 28 47 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026C18A7EFD0, 16 bytes long.
 Data: < G&#168; l           > 00 47 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026C18A7EF80, 16 bytes long.
 Data: <&#216;F&#168; l           > D8 46 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C18A7F4D0, 16 bytes long.
 Data: <&#176;F&#168; l           > B0 46 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026C18A7EF30, 16 bytes long.
 Data: <&#176;@&#168; l           > B0 40 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026C18A840B0, 40 bytes long.
 Data: <0&#239;&#167; l    &#196;&#134; l   > 30 EF A7 18 6C 02 00 00 20 C4 86 1A 6C 02 00 00 
{258} normal block at 0x0000026C18A7F430, 16 bytes long.
 Data: < F&#168; l           > 90 46 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026C18A7F1B0, 16 bytes long.
 Data: <hF&#168; l           > 68 46 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026C18A7E480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000026C18A7EE90, 16 bytes long.
 Data: <@F&#168; l           > 40 46 A8 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026C18A84640, 992 bytes long.
 Data: < &#238;&#167; l    &#228;&#167; l   > 90 EE A7 18 6C 02 00 00 80 E4 A7 18 6C 02 00 00 
{90} normal block at 0x0000026C18A7E9C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000026C18A7ECB0, 16 bytes long.
 Data: <p&#238;&#166; l           > 70 EE A6 18 6C 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000026C18A6EE70, 40 bytes long.
 Data: <&#176;&#236;&#167; l   &#192;&#233;&#167; l   > B0 EC A7 18 6C 02 00 00 C0 E9 A7 18 6C 02 00 00 
{67} normal block at 0x0000026C18A7EBC0, 16 bytes long.
 Data: < &#234; &#189;&#247;           > 80 EA 1D BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C18A7F5C0, 16 bytes long.
 Data: <@&#233; &#189;&#247;           > 40 E9 1D BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026C18A7F070, 16 bytes long.
 Data: <&#248;W &#189;&#247;           > F8 57 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026C18A7EDF0, 16 bytes long.
 Data: <&#216;W &#189;&#247;           > D8 57 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026C18A7F520, 16 bytes long.
 Data: <P  &#189;&#247;           > 50 04 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026C18A7EB70, 16 bytes long.
 Data: <0  &#189;&#247;           > 30 04 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026C18A7EC60, 16 bytes long.
 Data: <&#224;  &#189;&#247;           > E0 02 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026C18A7F2A0, 16 bytes long.
 Data: <   &#189;&#247;           > 10 04 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026C18A7F840, 16 bytes long.
 Data: <p  &#189;&#247;           > 70 04 1A BD F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026C18A7F930, 16 bytes long.
 Data: < &#192; &#189;&#247;           > 18 C0 18 BD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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