Task 38683154

Name test_907-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1048_0
Workunit 31624732
Created 27 Oct 2026, 10:42:06 UTC
Sent 27 Oct 2026, 10:42:13 UTC
Report deadline 1 Nov 2026, 10:42:13 UTC
Received 27 Oct 2026, 12:37:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 1 hours 53 min 53 sec
CPU time 1 hours 49 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.95 MB
Peak swap size 8.39 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:45:58 (14404): wrapper (7.9.26016): starting
05:45:58 (14404): 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
05:45:59 (14404): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:45:59 (14404): 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
07:37:01 (14404): C:/Windows/system32/cmd.exe exited; CPU time 6590.375000
07:37:01 (14404): 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: 118320859 bytes.
Dumping objects ->
{3835438} normal block at 0x0000025F291667C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000025F27446560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x0000025F274464F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x0000025F274462C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000025F27446170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x0000025F2910D390, 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) : {3835350} normal block at 0x0000025F274415A0, 8 bytes long.
 Data: <   '_   > 00 00 81 27 5F 02 00 00 
{3833965} normal block at 0x0000025F27441550, 8 bytes long.
 Data: < [D'_   > 20 5B 44 27 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025F27437FE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025F27438AC0, 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 0x0000025F27447380, 16 bytes long.
 Data: <&#216; D'_           > D8 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025F274472E0, 16 bytes long.
 Data: <&#176; D'_           > B0 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025F2743FBC0, 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 0x0000025F274471F0, 16 bytes long.
 Data: <  D'_           > 88 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025F27447420, 16 bytes long.
 Data: <` D'_           > 60 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025F274471A0, 16 bytes long.
 Data: <8 D'_           > 38 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025F27446ED0, 16 bytes long.
 Data: <  D'_           > 10 7F 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025F274461E0, 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 0x0000025F27447330, 16 bytes long.
 Data: <  D'_           > 08 13 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025F27440460, 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 0x0000025F27447650, 16 bytes long.
 Data: <&#224; D'_           > E0 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025F27446FC0, 16 bytes long.
 Data: <&#184; D'_           > B8 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025F27447060, 16 bytes long.
 Data: <  D'_           > 90 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025F27447A60, 16 bytes long.
 Data: <h D'_           > 68 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F27447A10, 16 bytes long.
 Data: <@ D'_           > 40 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F27447560, 16 bytes long.
 Data: <  D'_           > 18 12 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025F2743FB60, 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 0x0000025F27447790, 16 bytes long.
 Data: <&#240; D'_           > F0 11 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F274411F0, 320 bytes long.
 Data: < wD'_   `&#251;C'_   > 90 77 44 27 5F 02 00 00 60 FB 43 27 5F 02 00 00 
{278} normal block at 0x0000025F27447830, 16 bytes long.
 Data: <&#240;~D'_           > F0 7E 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025F274470B0, 16 bytes long.
 Data: <&#200;~D'_           > C8 7E 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F2743FD40, 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 0x0000025F274473D0, 16 bytes long.
 Data: <&#160;~D'_           > A0 7E 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F2743F980, 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 0x0000025F27447B50, 16 bytes long.
 Data: <&#232;}D'_           > E8 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025F27447150, 16 bytes long.
 Data: <&#192;}D'_           > C0 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025F27447510, 16 bytes long.
 Data: < }D'_           > 98 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025F27447240, 16 bytes long.
 Data: <p}D'_           > 70 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F27447880, 16 bytes long.
 Data: <H}D'_           > 48 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F27446D40, 16 bytes long.
 Data: < }D'_           > 20 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025F27447BF0, 16 bytes long.
 Data: < dD'_           > 10 64 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F27446410, 40 bytes long.
 Data: <&#240;{D'_    &#211; )_   > F0 7B 44 27 5F 02 00 00 90 D3 10 29 5F 02 00 00 
{264} normal block at 0x0000025F27446E30, 16 bytes long.
 Data: < }D'_           > 00 7D 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F27447740, 16 bytes long.
 Data: <&#216;|D'_           > D8 7C 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F2743FA40, 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 0x0000025F27447290, 16 bytes long.
 Data: <&#176;|D'_           > B0 7C 44 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025F27447CB0, 992 bytes long.
 Data: < rD'_   @&#250;C'_   > 90 72 44 27 5F 02 00 00 40 FA 43 27 5F 02 00 00 
{96} normal block at 0x0000025F274400A0, 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 0x0000025F27441BE0, 16 bytes long.
 Data: <p&#207;B'_           > 70 CF 42 27 5F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000025F2742CF70, 40 bytes long.
 Data: <&#224; D'_   &#160; D'_   > E0 1B 44 27 5F 02 00 00 A0 00 44 27 5F 02 00 00 
{73} normal block at 0x0000025F27441500, 16 bytes long.
 Data: < &#234;o@&#247;           > 80 EA 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025F27441DC0, 16 bytes long.
 Data: <@&#233;o@&#247;           > 40 E9 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025F27441690, 16 bytes long.
 Data: <&#248;Wl@&#247;           > F8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025F27441A50, 16 bytes long.
 Data: <&#216;Wl@&#247;           > D8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025F27441B90, 16 bytes long.
 Data: <P l@&#247;           > 50 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025F27441410, 16 bytes long.
 Data: <0 l@&#247;           > 30 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025F274422C0, 16 bytes long.
 Data: <&#224; l@&#247;           > E0 02 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025F27442270, 16 bytes long.
 Data: <  l@&#247;           > 10 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F27441D20, 16 bytes long.
 Data: <p l@&#247;           > 70 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F27441FA0, 16 bytes long.
 Data: < &#192;j@&#247;           > 18 C0 6A 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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