Task 38658532

Name test_217-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND8486_0
Workunit 31602113
Created 24 Oct 2026, 12:46:49 UTC
Sent 24 Oct 2026, 12:52:54 UTC
Report deadline 29 Oct 2026, 12:52:54 UTC
Received 25 Oct 2026, 1:23:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 59 min 30 sec
CPU time 55 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 650.74 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:25:02 (19040): wrapper (7.9.26016): starting
02:25:02 (19040): 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
02:25:04 (19040): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:25:04 (19040): 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\7\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\7\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
02:22:57 (19040): C:/Windows/system32/cmd.exe exited; CPU time 3335.125000
02:22:57 (19040): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 58110617 bytes.
Dumping objects ->
{3835239} normal block at 0x0000015582FC4510, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000015582FC43C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000015582FC4AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000015582FC4A50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000015582FC4820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000015584C67270, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001558300D8E0, 144 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) : {3835150} normal block at 0x0000015582FBEB90, 8 bytes long.
 Data: <  9&#131;U   > 00 00 39 83 55 01 00 00 
{3834550} normal block at 0x000001558300D9B0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000015582FBE690, 8 bytes long.
 Data: <&#192;3&#204;&#132;U   > C0 33 CC 84 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015582FC0CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015582FAF770, 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 0x0000015582FC5D10, 16 bytes long.
 Data: < a&#252;&#130;U           > 98 61 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015582FC5220, 16 bytes long.
 Data: <pa&#252;&#130;U           > 70 61 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015582FBF9D0, 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 0x0000015582FC5770, 16 bytes long.
 Data: <Ha&#252;&#130;U           > 48 61 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015582FC5540, 16 bytes long.
 Data: < a&#252;&#130;U           > 20 61 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015582FC5900, 16 bytes long.
 Data: <&#248;`&#252;&#130;U           > F8 60 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015582FC56D0, 16 bytes long.
 Data: <&#208;`&#252;&#130;U           > D0 60 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015582FC4660, 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 0x0000015582FC5BD0, 16 bytes long.
 Data: <&#184;&#180;&#250;&#130;U           > B8 B4 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015582FBF3D0, 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 0x0000015582FC5E00, 16 bytes long.
 Data: < &#180;&#250;&#130;U           > 90 B4 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015582FC4F50, 16 bytes long.
 Data: <h&#180;&#250;&#130;U           > 68 B4 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015582FC54F0, 16 bytes long.
 Data: <@&#180;&#250;&#130;U           > 40 B4 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015582FC5590, 16 bytes long.
 Data: < &#180;&#250;&#130;U           > 18 B4 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015582FC5400, 16 bytes long.
 Data: <&#240;&#179;&#250;&#130;U           > F0 B3 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015582FC5680, 16 bytes long.
 Data: <&#200;&#179;&#250;&#130;U           > C8 B3 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015582FBFD90, 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 0x0000015582FC5C70, 16 bytes long.
 Data: <&#160;&#179;&#250;&#130;U           > A0 B3 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015582FAB3A0, 320 bytes long.
 Data: <p\&#252;&#130;U    &#253;&#251;&#130;U   > 70 5C FC 82 55 01 00 00 90 FD FB 82 55 01 00 00 
{273} normal block at 0x0000015582FC5D60, 16 bytes long.
 Data: <&#176;`&#252;&#130;U           > B0 60 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015582FC53B0, 16 bytes long.
 Data: < `&#252;&#130;U           > 88 60 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015582FBF010, 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 0x0000015582FC5630, 16 bytes long.
 Data: <``&#252;&#130;U           > 60 60 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015582FBF730, 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 0x0000015582FC5B80, 16 bytes long.
 Data: <&#168;_&#252;&#130;U           > A8 5F FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015582FC5360, 16 bytes long.
 Data: < _&#252;&#130;U           > 80 5F FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015582FC58B0, 16 bytes long.
 Data: <X_&#252;&#130;U           > 58 5F FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015582FC5860, 16 bytes long.
 Data: <0_&#252;&#130;U           > 30 5F FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015582FC55E0, 16 bytes long.
 Data: < _&#252;&#130;U           > 08 5F FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015582FC5CC0, 16 bytes long.
 Data: <&#224;^&#252;&#130;U           > E0 5E FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015582FC5810, 16 bytes long.
 Data: < E&#252;&#130;U           > 80 45 FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015582FC4580, 40 bytes long.
 Data: < X&#252;&#130;U   pr&#198;&#132;U   > 10 58 FC 82 55 01 00 00 70 72 C6 84 55 01 00 00 
{259} normal block at 0x0000015582FC52C0, 16 bytes long.
 Data: <&#192;^&#252;&#130;U           > C0 5E FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015582FC5310, 16 bytes long.
 Data: < ^&#252;&#130;U           > 98 5E FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015582FBFF10, 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 0x0000015582FC5720, 16 bytes long.
 Data: <p^&#252;&#130;U           > 70 5E FC 82 55 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015582FC5E70, 992 bytes long.
 Data: < W&#252;&#130;U    &#255;&#251;&#130;U   > 20 57 FC 82 55 01 00 00 10 FF FB 82 55 01 00 00 
{91} normal block at 0x0000015582FBFC10, 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 0x0000015582FBE9B0, 16 bytes long.
 Data: < &#198;&#250;&#130;U           > 90 C6 FA 82 55 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015582FAC690, 40 bytes long.
 Data: <&#176;&#233;&#251;&#130;U    &#252;&#251;&#130;U   > B0 E9 FB 82 55 01 00 00 10 FC FB 82 55 01 00 00 
{68} normal block at 0x0000015582FBE3C0, 16 bytes long.
 Data: < &#234;&#146;&#229;&#246;           > 80 EA 92 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015582FBE370, 16 bytes long.
 Data: <@&#233;&#146;&#229;&#246;           > 40 E9 92 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015582FBE460, 16 bytes long.
 Data: <&#248;W &#229;&#246;           > F8 57 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015582FBED70, 16 bytes long.
 Data: <&#216;W &#229;&#246;           > D8 57 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015582FBE230, 16 bytes long.
 Data: <P  &#229;&#246;           > 50 04 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015582FBE780, 16 bytes long.
 Data: <0  &#229;&#246;           > 30 04 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015582FBE2D0, 16 bytes long.
 Data: <&#224;  &#229;&#246;           > E0 02 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015582FBE6E0, 16 bytes long.
 Data: <   &#229;&#246;           > 10 04 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015582FBE8C0, 16 bytes long.
 Data: <p  &#229;&#246;           > 70 04 8F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015582FBE410, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 8D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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