Task 38669373

Name test_831-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9578_0
Workunit 31611728
Created 25 Oct 2026, 14:24:10 UTC
Sent 25 Oct 2026, 14:24:28 UTC
Report deadline 30 Oct 2026, 14:24:28 UTC
Received 25 Oct 2026, 14:48:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654805
Run time 23 min 41 sec
CPU time 20 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,717.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.77 MB
Peak swap size 3.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:26:19 (3576): wrapper (7.9.26016): starting
21:26:19 (3576): 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
21:26:21 (3576): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:26:21 (3576): 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
21:48:30 (3576): C:/Windows/system32/cmd.exe exited; CPU time 1219.046875
21:48:30 (3576): 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: 24715647 bytes.
Dumping objects ->
{3835168} normal block at 0x000001D4DA962F80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001D4D8B94A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000001D4D8B95170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835135} normal block at 0x000001D4D8B95100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835124} normal block at 0x000001D4D8B94BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835093} normal block at 0x000001D4DA907080, 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) : {3835080} normal block at 0x000001D4D8B8E790, 8 bytes long.
 Data: <  c&#218;&#212;   > 00 00 63 DA D4 01 00 00 
{3833939} normal block at 0x000001D4D8B8E510, 8 bytes long.
 Data: <&#176;&#228;&#129;&#218;&#212;   > B0 E4 81 DA D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001D4D8B8F7A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D4D8B85BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001D4D8B95BF0, 16 bytes long.
 Data: <XU &#216;&#212;           > 58 55 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D4D8B965A0, 16 bytes long.
 Data: <0U &#216;&#212;           > 30 55 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D4D8B912A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001D4D8B962D0, 16 bytes long.
 Data: < U &#216;&#212;           > 08 55 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D4D8B95BA0, 16 bytes long.
 Data: <&#224;T &#216;&#212;           > E0 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D4D8B96280, 16 bytes long.
 Data: <&#184;T &#216;&#212;           > B8 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D4D8B96140, 16 bytes long.
 Data: <&#144;T &#216;&#212;           > 90 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D4D8B94D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001D4D8B96230, 16 bytes long.
 Data: < &#180;&#183;&#216;&#212;           > 08 B4 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D4D8B91240, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001D4D8B95B00, 16 bytes long.
 Data: <&#224;&#179;&#183;&#216;&#212;           > E0 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D4D8B961E0, 16 bytes long.
 Data: <&#184;&#179;&#183;&#216;&#212;           > B8 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D4D8B96550, 16 bytes long.
 Data: <&#144;&#179;&#183;&#216;&#212;           > 90 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D4D8B95D30, 16 bytes long.
 Data: <h&#179;&#183;&#216;&#212;           > 68 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D4D8B95FB0, 16 bytes long.
 Data: <@&#179;&#183;&#216;&#212;           > 40 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D4D8B959C0, 16 bytes long.
 Data: < &#179;&#183;&#216;&#212;           > 18 B3 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D4D8B91540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001D4D8B958D0, 16 bytes long.
 Data: <&#240;&#178;&#183;&#216;&#212;           > F0 B2 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D4D8B7B2F0, 320 bytes long.
 Data: <&#208;X &#216;&#212;   @  &#216;&#212;   > D0 58 B9 D8 D4 01 00 00 40 15 B9 D8 D4 01 00 00 
{265} normal block at 0x000001D4D8B95B50, 16 bytes long.
 Data: <pT &#216;&#212;           > 70 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D4D8B95C90, 16 bytes long.
 Data: <HT &#216;&#212;           > 48 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D4D8B91360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001D4D8B95880, 16 bytes long.
 Data: < T &#216;&#212;           > 20 54 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D4D8B92140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001D4D8B95AB0, 16 bytes long.
 Data: <hS &#216;&#212;           > 68 53 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D4D8B95C40, 16 bytes long.
 Data: <@S &#216;&#212;           > 40 53 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D4D8B96460, 16 bytes long.
 Data: < S &#216;&#212;           > 18 53 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D4D8B96370, 16 bytes long.
 Data: <&#240;R &#216;&#212;           > F0 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D4D8B8E4C0, 16 bytes long.
 Data: <&#200;R &#216;&#212;           > C8 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D4D8B8E470, 16 bytes long.
 Data: <&#160;R &#216;&#212;           > A0 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D4D8B8E330, 16 bytes long.
 Data: <0L &#216;&#212;           > 30 4C B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D4D8B94C30, 40 bytes long.
 Data: <0&#227;&#184;&#216;&#212;   &#128;p&#144;&#218;&#212;   > 30 E3 B8 D8 D4 01 00 00 80 70 90 DA D4 01 00 00 
{251} normal block at 0x000001D4D8B8F050, 16 bytes long.
 Data: <&#128;R &#216;&#212;           > 80 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001D4D8B8F000, 16 bytes long.
 Data: <XR &#216;&#212;           > 58 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001D4D8B91300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001D4D8B8E420, 16 bytes long.
 Data: <0R &#216;&#212;           > 30 52 B9 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001D4D8B95230, 992 bytes long.
 Data: < &#228;&#184;&#216;&#212;      &#216;&#212;   > 20 E4 B8 D8 D4 01 00 00 00 13 B9 D8 D4 01 00 00 
{83} normal block at 0x000001D4D8B91B40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001D4D8B8ED30, 16 bytes long.
 Data: <&#224;&#197;&#183;&#216;&#212;           > E0 C5 B7 D8 D4 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001D4D8B7C5E0, 40 bytes long.
 Data: <0&#237;&#184;&#216;&#212;   @  &#216;&#212;   > 30 ED B8 D8 D4 01 00 00 40 1B B9 D8 D4 01 00 00 
{60} normal block at 0x000001D4D8B8EDD0, 16 bytes long.
 Data: <&#128;&#234;&#146;&#197;&#246;           > 80 EA 92 C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D4D8B8E970, 16 bytes long.
 Data: <@&#233;&#146;&#197;&#246;           > 40 E9 92 C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D4D8B8EBF0, 16 bytes long.
 Data: <&#248;W&#143;&#197;&#246;           > F8 57 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D4D8B8E6A0, 16 bytes long.
 Data: <&#216;W&#143;&#197;&#246;           > D8 57 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D4D8B8EA10, 16 bytes long.
 Data: <P &#143;&#197;&#246;           > 50 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D4D8B8E8D0, 16 bytes long.
 Data: <0 &#143;&#197;&#246;           > 30 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001D4D8B8ECE0, 16 bytes long.
 Data: <&#224; &#143;&#197;&#246;           > E0 02 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001D4D8B8E650, 16 bytes long.
 Data: <  &#143;&#197;&#246;           > 10 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001D4D8B8E2E0, 16 bytes long.
 Data: <p &#143;&#197;&#246;           > 70 04 8F C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001D4D8B8E5B0, 16 bytes long.
 Data: < &#192;&#141;&#197;&#246;           > 18 C0 8D C5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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