Task 38678303

Name test_881-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0003_0
Workunit 31620129
Created 26 Oct 2026, 16:59:27 UTC
Sent 26 Oct 2026, 16:59:34 UTC
Report deadline 31 Oct 2026, 16:59:34 UTC
Received 26 Oct 2026, 18:39:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 49 min 24 sec
CPU time 42 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.21 MB
Peak swap size 3.08 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:49:04 (664): wrapper (7.9.26016): starting
19:49:04 (664): 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
19:49:06 (664): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:49:06 (664): 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 'D:\ProgramData\BOINC\slots\2\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 'D:\ProgramData\BOINC\slots\2\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
20:37:02 (664): C:/Windows/system32/cmd.exe exited; CPU time 2554.390625
20:37:02 (664): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32936733 bytes.
Dumping objects ->
{3835253} normal block at 0x00000195D767F100, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x00000195D767EED0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000195D767E4C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x00000195D5B3B7E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x00000195D5B3B4D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x00000195D76C5BA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000195D5B407E0, 160 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) : {3835164} normal block at 0x00000195D5B36E50, 8 bytes long.
 Data: <  &#175;&#213;&#149;   > 00 00 AF D5 95 01 00 00 
{3834552} normal block at 0x00000195D5B402A0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000195D5B366D0, 8 bytes long.
 Data: <&#240;&#166;&#178;&#213;&#149;   > F0 A6 B2 D5 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000195D5B41260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000195D5B25BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000195D5B431F0, 16 bytes long.
 Data: <&#232;I&#180;&#213;&#149;           > E8 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000195D5B431A0, 16 bytes long.
 Data: <&#192;I&#180;&#213;&#149;           > C0 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000195D5B3CCF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000195D5B43060, 16 bytes long.
 Data: < I&#180;&#213;&#149;           > 98 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000195D5B42BB0, 16 bytes long.
 Data: <pI&#180;&#213;&#149;           > 70 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000195D5B42B60, 16 bytes long.
 Data: <HI&#180;&#213;&#149;           > 48 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000195D5B42B10, 16 bytes long.
 Data: < I&#180;&#213;&#149;           > 20 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000195D5B3B8C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000195D5B42610, 16 bytes long.
 Data: < &#187;&#178;&#213;&#149;           > 88 BB B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000195D5B3D230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000195D5B42DE0, 16 bytes long.
 Data: <`&#187;&#178;&#213;&#149;           > 60 BB B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000195D5B42A70, 16 bytes long.
 Data: <8&#187;&#178;&#213;&#149;           > 38 BB B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000195D5B425C0, 16 bytes long.
 Data: < &#187;&#178;&#213;&#149;           > 10 BB B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000195D5B42340, 16 bytes long.
 Data: <&#232;&#186;&#178;&#213;&#149;           > E8 BA B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000195D5B42A20, 16 bytes long.
 Data: <&#192;&#186;&#178;&#213;&#149;           > C0 BA B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000195D5B42520, 16 bytes long.
 Data: < &#186;&#178;&#213;&#149;           > 98 BA B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000195D5B3D110, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x00000195D5B43150, 16 bytes long.
 Data: <p&#186;&#178;&#213;&#149;           > 70 BA B2 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000195D5B2BA70, 320 bytes long.
 Data: <P1&#180;&#213;&#149;    &#209;&#179;&#213;&#149;   > 50 31 B4 D5 95 01 00 00 10 D1 B3 D5 95 01 00 00 
{267} normal block at 0x00000195D5B429D0, 16 bytes long.
 Data: < I&#180;&#213;&#149;           > 00 49 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000195D5B42700, 16 bytes long.
 Data: <&#216;H&#180;&#213;&#149;           > D8 48 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000195D5B3CC30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000195D5B42AC0, 16 bytes long.
 Data: <&#176;H&#180;&#213;&#149;           > B0 48 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000195D5B3D710, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000195D5B42F70, 16 bytes long.
 Data: <&#248;G&#180;&#213;&#149;           > F8 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000195D5B42F20, 16 bytes long.
 Data: <&#208;G&#180;&#213;&#149;           > D0 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000195D5B42ED0, 16 bytes long.
 Data: <&#168;G&#180;&#213;&#149;           > A8 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000195D5B42E80, 16 bytes long.
 Data: < G&#180;&#213;&#149;           > 80 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000195D5B42D90, 16 bytes long.
 Data: <XG&#180;&#213;&#149;           > 58 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000195D5B43010, 16 bytes long.
 Data: <0G&#180;&#213;&#149;           > 30 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000195D5B42CA0, 16 bytes long.
 Data: <P&#184;&#179;&#213;&#149;           > 50 B8 B3 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000195D5B3B850, 40 bytes long.
 Data: <&#160;,&#180;&#213;&#149;   &#160;[l&#215;&#149;   > A0 2C B4 D5 95 01 00 00 A0 5B 6C D7 95 01 00 00 
{253} normal block at 0x00000195D5B42980, 16 bytes long.
 Data: < G&#180;&#213;&#149;           > 10 47 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000195D5B430B0, 16 bytes long.
 Data: <&#232;F&#180;&#213;&#149;           > E8 46 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000195D5B3CBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000195D5B427F0, 16 bytes long.
 Data: <&#192;F&#180;&#213;&#149;           > C0 46 B4 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000195D5B446C0, 992 bytes long.
 Data: <&#240;'&#180;&#213;&#149;   &#208;&#203;&#179;&#213;&#149;   > F0 27 B4 D5 95 01 00 00 D0 CB B3 D5 95 01 00 00 
{85} normal block at 0x00000195D5B3D4D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000195D5B36CC0, 16 bytes long.
 Data: < &#182;&#179;&#213;&#149;           > 90 B6 B3 D5 95 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000195D5B3B690, 40 bytes long.
 Data: <&#192;l&#179;&#213;&#149;   &#208;&#212;&#179;&#213;&#149;   > C0 6C B3 D5 95 01 00 00 D0 D4 B3 D5 95 01 00 00 
{62} normal block at 0x00000195D5B36B80, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000195D5B364A0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000195D5B36630, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000195D5B36B30, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000195D5B37080, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000195D5B36AE0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000195D5B37210, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000195D5B36810, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000195D5B37260, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000195D5B369F0, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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