Task 38685015

Name test_656-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4589_0
Workunit 31626507
Created 27 Oct 2026, 19:01:07 UTC
Sent 27 Oct 2026, 19:01:15 UTC
Report deadline 1 Nov 2026, 19:01:15 UTC
Received 27 Oct 2026, 20:06:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 29 min 10 sec
CPU time 27 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.90 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:37:29 (45152): wrapper (7.9.26016): starting
14:37:29 (45152): 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
14:37:30 (45152): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:37:30 (45152): 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\35\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\35\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
15:05:53 (45152): C:/Windows/system32/cmd.exe exited; CPU time 1653.218750
15:05:53 (45152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23465897 bytes.
Dumping objects ->
{3835570} normal block at 0x000001728CE01170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000001728CE00A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001728CE012C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000001728CE00D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000001728CE01100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000001728CEAADA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000001728CF0D2E0, 102 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) : {3835481} normal block at 0x000001728B256410, 8 bytes long.
 Data: <  &#188;&#140;r   > 00 00 BC 8C 72 01 00 00 
{3834692} normal block at 0x000001728CF0D230, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001728B256820, 8 bytes long.
 Data: <P..&#139;r   > 50 2E 2E 8B 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001728B260E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001728B24A9B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001728B261EB0, 16 bytes long.
 Data: <&#168;4&&#139;r           > A8 34 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001728B262C70, 16 bytes long.
 Data: < 4&&#139;r           > 80 34 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001728B25DBE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001728B2625E0, 16 bytes long.
 Data: <X4&&#139;r           > 58 34 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001728B2629A0, 16 bytes long.
 Data: <04&&#139;r           > 30 34 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001728B262590, 16 bytes long.
 Data: < 4&&#139;r           > 08 34 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001728B262130, 16 bytes long.
 Data: <&#224;3&&#139;r           > E0 33 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001728B25B220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001728B262950, 16 bytes long.
 Data: <(&#186;$&#139;r           > 28 BA 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001728B25D760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001728B262900, 16 bytes long.
 Data: < &#186;$&#139;r           > 00 BA 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001728B262220, 16 bytes long.
 Data: <&#216;&#185;$&#139;r           > D8 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001728B2627C0, 16 bytes long.
 Data: <&#176;&#185;$&#139;r           > B0 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001728B262B80, 16 bytes long.
 Data: < &#185;$&#139;r           > 88 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001728B2628B0, 16 bytes long.
 Data: <`&#185;$&#139;r           > 60 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001728B261E60, 16 bytes long.
 Data: <8&#185;$&#139;r           > 38 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001728B25DFA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001728B262770, 16 bytes long.
 Data: < &#185;$&#139;r           > 10 B9 24 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001728B24B910, 320 bytes long.
 Data: <p'&&#139;r   &#160;&#223;%&#139;r   > 70 27 26 8B 72 01 00 00 A0 DF 25 8B 72 01 00 00 
{270} normal block at 0x000001728B262720, 16 bytes long.
 Data: <&#192;3&&#139;r           > C0 33 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001728B262AE0, 16 bytes long.
 Data: < 3&&#139;r           > 98 33 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001728B25E1E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001728B261FA0, 16 bytes long.
 Data: <p3&&#139;r           > 70 33 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001728B25D6A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001728B262C20, 16 bytes long.
 Data: <&#184;2&&#139;r           > B8 32 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001728B2626D0, 16 bytes long.
 Data: < 2&&#139;r           > 90 32 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001728B262A90, 16 bytes long.
 Data: <h2&&#139;r           > 68 32 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001728B2624F0, 16 bytes long.
 Data: <@2&&#139;r           > 40 32 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001728B262450, 16 bytes long.
 Data: < 2&&#139;r           > 18 32 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001728B261DC0, 16 bytes long.
 Data: <&#240;1&&#139;r           > F0 31 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001728B2629F0, 16 bytes long.
 Data: <0&#181;%&#139;r           > 30 B5 25 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001728B25B530, 40 bytes long.
 Data: <&#240;)&&#139;r   &#160;&#173;&#234;&#140;r   > F0 29 26 8B 72 01 00 00 A0 AD EA 8C 72 01 00 00 
{256} normal block at 0x000001728B262BD0, 16 bytes long.
 Data: <&#208;1&&#139;r           > D0 31 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001728B262400, 16 bytes long.
 Data: <&#168;1&&#139;r           > A8 31 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001728B25D4C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001728B262680, 16 bytes long.
 Data: < 1&&#139;r           > 80 31 26 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001728B263180, 992 bytes long.
 Data: < &&&#139;r   &#192;&#212;%&#139;r   > 80 26 26 8B 72 01 00 00 C0 D4 25 8B 72 01 00 00 
{88} normal block at 0x000001728B25D5E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001728B256640, 16 bytes long.
 Data: <&#176;&#177;%&#139;r           > B0 B1 25 8B 72 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001728B25B1B0, 40 bytes long.
 Data: <@f%&#139;r   &#224;&#213;%&#139;r   > 40 66 25 8B 72 01 00 00 E0 D5 25 8B 72 01 00 00 
{65} normal block at 0x000001728B256C80, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001728B256910, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001728B2568C0, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001728B2567D0, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001728B2563C0, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001728B2566E0, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001728B257090, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001728B2569B0, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001728B256B90, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001728B257040, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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