Task 38648521

Name test_321-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND3331_0
Workunit 31593222
Created 23 Oct 2026, 20:43:56 UTC
Sent 24 Oct 2026, 1:48:06 UTC
Report deadline 29 Oct 2026, 1:48:06 UTC
Received 24 Oct 2026, 16:42:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 633950
Run time 17 min 50 sec
CPU time 14 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.77 MB
Peak swap size 11.50 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:20:45 (34500): wrapper (7.9.26016): starting
18:20:45 (34500): 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
18:20:46 (34500): Library/usr/bin/tar.exe exited; CPU time 0.046875
18:20:46 (34500): 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
18:37:06 (34500): C:/Windows/system32/cmd.exe exited; CPU time 854.953125
18:37:06 (34500): 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: 18947355 bytes.
Dumping objects ->
{3835462} normal block at 0x000001508C0688E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x000001508C0691A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x000001508C069130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835429} normal block at 0x000001508BF97D50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835418} normal block at 0x000001508BF97CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835387} normal block at 0x000001508DDBD560, 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) : {3835374} normal block at 0x000001508BF91B80, 8 bytes long.
 Data: <  [&#140;P   > 00 00 5B 8C 50 01 00 00 
{3833961} normal block at 0x000001508BF917C0, 8 bytes long.
 Data: <P&#139;&#228; P   > 50 8B E4 8D 50 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001508BF8C2C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001508BF85C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001508BF99B70, 16 bytes long.
 Data: <&#216;&#166;&#249;&#139;P           > D8 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001508BF998A0, 16 bytes long.
 Data: <&#176;&#166;&#249;&#139;P           > B0 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001508BF94FE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001508BF99800, 16 bytes long.
 Data: < &#166;&#249;&#139;P           > 88 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001508BF99760, 16 bytes long.
 Data: <`&#166;&#249;&#139;P           > 60 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001508BF99C60, 16 bytes long.
 Data: <8&#166;&#249;&#139;P           > 38 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001508BF99670, 16 bytes long.
 Data: < &#166;&#249;&#139;P           > 10 A6 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001508BF97810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001508BF99EE0, 16 bytes long.
 Data: <&#200;&#234;&#247;&#139;P           > C8 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001508BF95100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001508BF99620, 16 bytes long.
 Data: <&#160;&#234;&#247;&#139;P           > A0 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001508BF99710, 16 bytes long.
 Data: <x&#234;&#247;&#139;P           > 78 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001508BF995D0, 16 bytes long.
 Data: <P&#234;&#247;&#139;P           > 50 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001508BF99FD0, 16 bytes long.
 Data: <(&#234;&#247;&#139;P           > 28 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001508BF9A0C0, 16 bytes long.
 Data: < &#234;&#247;&#139;P           > 00 EA F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001508BF99E40, 16 bytes long.
 Data: <&#216;&#233;&#247;&#139;P           > D8 E9 F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001508BF94F80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001508BF99580, 16 bytes long.
 Data: <&#176;&#233;&#247;&#139;P           > B0 E9 F7 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001508BF7E9B0, 320 bytes long.
 Data: < &#149;&#249;&#139;P    O&#249;&#139;P   > 80 95 F9 8B 50 01 00 00 80 4F F9 8B 50 01 00 00 
{276} normal block at 0x000001508BF997B0, 16 bytes long.
 Data: <&#240;&#165;&#249;&#139;P           > F0 A5 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001508BF99440, 16 bytes long.
 Data: <&#200;&#165;&#249;&#139;P           > C8 A5 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001508BF95580, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001508BF99850, 16 bytes long.
 Data: <&#160;&#165;&#249;&#139;P           > A0 A5 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001508BF94F20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001508BF9A070, 16 bytes long.
 Data: <&#232;&#164;&#249;&#139;P           > E8 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001508BF99DA0, 16 bytes long.
 Data: <&#192;&#164;&#249;&#139;P           > C0 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001508BF996C0, 16 bytes long.
 Data: < &#164;&#249;&#139;P           > 98 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001508BF99E90, 16 bytes long.
 Data: <p&#164;&#249;&#139;P           > 70 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001508BF99D50, 16 bytes long.
 Data: <H&#164;&#249;&#139;P           > 48 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001508BF99530, 16 bytes long.
 Data: < &#164;&#249;&#139;P           > 20 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001508BF994E0, 16 bytes long.
 Data: <@z&#249;&#139;P           > 40 7A F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001508BF97A40, 40 bytes long.
 Data: <&#224;&#148;&#249;&#139;P   `&#213;&#219; P   > E0 94 F9 8B 50 01 00 00 60 D5 DB 8D 50 01 00 00 
{262} normal block at 0x000001508BF99A30, 16 bytes long.
 Data: < &#164;&#249;&#139;P           > 00 A4 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001508BF99B20, 16 bytes long.
 Data: <&#216;&#163;&#249;&#139;P           > D8 A3 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001508BF94A40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001508BF99490, 16 bytes long.
 Data: <&#176;&#163;&#249;&#139;P           > B0 A3 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001508BF9A3B0, 992 bytes long.
 Data: < &#148;&#249;&#139;P   @J&#249;&#139;P   > 90 94 F9 8B 50 01 00 00 40 4A F9 8B 50 01 00 00 
{94} normal block at 0x000001508BF94980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001508BF91D60, 16 bytes long.
 Data: <`y&#249;&#139;P           > 60 79 F9 8B 50 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001508BF97960, 40 bytes long.
 Data: <` &#249;&#139;P    I&#249;&#139;P   > 60 1D F9 8B 50 01 00 00 80 49 F9 8B 50 01 00 00 
{71} normal block at 0x000001508BF91680, 16 bytes long.
 Data: < &#234;: &#246;           > 80 EA 3A 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001508BF918B0, 16 bytes long.
 Data: <@&#233;: &#246;           > 40 E9 3A 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001508BF91590, 16 bytes long.
 Data: <&#248;W7 &#246;           > F8 57 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001508BF91860, 16 bytes long.
 Data: <&#216;W7 &#246;           > D8 57 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001508BF91AE0, 16 bytes long.
 Data: <P 7 &#246;           > 50 04 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001508BF91540, 16 bytes long.
 Data: <0 7 &#246;           > 30 04 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001508BF914F0, 16 bytes long.
 Data: <&#224; 7 &#246;           > E0 02 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001508BF915E0, 16 bytes long.
 Data: <  7 &#246;           > 10 04 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001508BF91630, 16 bytes long.
 Data: <p 7 &#246;           > 70 04 37 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001508BF91220, 16 bytes long.
 Data: < &#192;5 &#246;           > 18 C0 35 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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