Task 38682515

Name test_576-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2796_0
Workunit 31624122
Created 27 Oct 2026, 8:01:55 UTC
Sent 27 Oct 2026, 8:01:57 UTC
Report deadline 1 Nov 2026, 8:01:57 UTC
Received 27 Oct 2026, 8:21:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 18 min 4 sec
CPU time 17 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.94 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:03:32 (7420): wrapper (7.9.26016): starting
09:03:32 (7420): 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
09:03:33 (7420): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:03:33 (7420): 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\1\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\1\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
09:20:55 (7420): C:/Windows/system32/cmd.exe exited; CPU time 1033.859375
09:20:55 (7420): 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: 17006765 bytes.
Dumping objects ->
{3835247} normal block at 0x000001757B955690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001757B955620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001757B9557E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001757B955700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001757B9555B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001757D817AB0, 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) : {3835159} normal block at 0x000001757B94DBC0, 8 bytes long.
 Data: <  &#231;{u   > 00 00 E7 7B 75 01 00 00 
{3833965} normal block at 0x000001757B94DCB0, 8 bytes long.
 Data: <0Z&#138;}u   > 30 5A 8A 7D 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001757B952610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001757B946E70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001757B956960, 16 bytes long.
 Data: <&#232;r&#149;{u           > E8 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001757B956410, 16 bytes long.
 Data: <&#192;r&#149;{u           > C0 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001757B950420, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001757B956870, 16 bytes long.
 Data: < r&#149;{u           > 98 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001757B956910, 16 bytes long.
 Data: <pr&#149;{u           > 70 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001757B9564B0, 16 bytes long.
 Data: <Hr&#149;{u           > 48 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001757B956E60, 16 bytes long.
 Data: < r&#149;{u           > 20 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001757B9554D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001757B956B90, 16 bytes long.
 Data: <  &#147;{u           > 18 BD 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001757B9505A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001757B956320, 16 bytes long.
 Data: <&#240;&#188;&#147;{u           > F0 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001757B956F00, 16 bytes long.
 Data: <&#200;&#188;&#147;{u           > C8 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001757B956AF0, 16 bytes long.
 Data: <&#160;&#188;&#147;{u           > A0 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001757B956C30, 16 bytes long.
 Data: <x&#188;&#147;{u           > 78 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001757B956820, 16 bytes long.
 Data: <P&#188;&#147;{u           > 50 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001757B956690, 16 bytes long.
 Data: <(&#188;&#147;{u           > 28 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001757B94FE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001757B956D70, 16 bytes long.
 Data: < &#188;&#147;{u           > 00 BC 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001757B93BC00, 320 bytes long.
 Data: <pm&#149;{u    &#254;&#148;{u   > 70 6D 95 7B 75 01 00 00 80 FE 94 7B 75 01 00 00 
{278} normal block at 0x000001757B956140, 16 bytes long.
 Data: < r&#149;{u           > 00 72 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001757B956DC0, 16 bytes long.
 Data: <&#216;q&#149;{u           > D8 71 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001757B9508A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001757B956F50, 16 bytes long.
 Data: <&#176;q&#149;{u           > B0 71 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001757B9506C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001757B956E10, 16 bytes long.
 Data: <&#248;p&#149;{u           > F8 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001757B956AA0, 16 bytes long.
 Data: <&#208;p&#149;{u           > D0 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001757B9567D0, 16 bytes long.
 Data: <&#168;p&#149;{u           > A8 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001757B956EB0, 16 bytes long.
 Data: < p&#149;{u           > 80 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001757B9561E0, 16 bytes long.
 Data: <Xp&#149;{u           > 58 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001757B9565A0, 16 bytes long.
 Data: <0p&#149;{u           > 30 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001757B9562D0, 16 bytes long.
 Data: <0Y&#149;{u           > 30 59 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001757B955930, 40 bytes long.
 Data: <&#208;b&#149;{u   &#176;z }u   > D0 62 95 7B 75 01 00 00 B0 7A 81 7D 75 01 00 00 
{264} normal block at 0x000001757B956780, 16 bytes long.
 Data: < p&#149;{u           > 10 70 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001757B956D20, 16 bytes long.
 Data: <&#232;o&#149;{u           > E8 6F 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001757B950480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001757B956370, 16 bytes long.
 Data: <&#192;o&#149;{u           > C0 6F 95 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001757B956FC0, 992 bytes long.
 Data: <pc&#149;{u     &#149;{u   > 70 63 95 7B 75 01 00 00 80 04 95 7B 75 01 00 00 
{96} normal block at 0x000001757B950A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001757B94E2A0, 16 bytes long.
 Data: < &#201;&#147;{u           > 00 C9 93 7B 75 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001757B93C900, 40 bytes long.
 Data: <&#160;&#226;&#148;{u     &#149;{u   > A0 E2 94 7B 75 01 00 00 80 0A 95 7B 75 01 00 00 
{73} normal block at 0x000001757B94E750, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001757B94E0C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001757B94E700, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001757B94E7A0, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001757B94DEE0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001757B94E4D0, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001757B94DC60, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001757B94E6B0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001757B94E660, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001757B94DA30, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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