Task 38662113

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8183_1
Workunit 31605380
Created 24 Oct 2026, 17:51:33 UTC
Sent 24 Oct 2026, 17:51:44 UTC
Report deadline 29 Oct 2026, 17:51:44 UTC
Received 24 Oct 2026, 19:32:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649181
Run time 35 min 22 sec
CPU time 32 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.59 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:29:58 (19784): wrapper (7.9.26016): starting
20:29:58 (19784): 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
20:30:00 (19784): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:30:00 (19784): 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 'H:\ProgramData\BOINC\slots\21\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 'H:\ProgramData\BOINC\slots\21\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
21:04:17 (19784): C:/Windows/system32/cmd.exe exited; CPU time 1947.578125
21:04:17 (19784): 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: 41212683 bytes.
Dumping objects ->
{3835430} normal block at 0x0000018689655D10, 48 bytes long.
 Data: <PATH=H:\ProgramD> 50 41 54 48 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x0000018689655CA0, 48 bytes long.
 Data: <HOME=H:\ProgramD> 48 4F 4D 45 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835408} normal block at 0x0000018689655920, 48 bytes long.
 Data: <TMP=H:\ProgramDa> 54 4D 50 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835397} normal block at 0x0000018689655DF0, 48 bytes long.
 Data: <TEMP=H:\ProgramD> 54 45 4D 50 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x0000018689655760, 48 bytes long.
 Data: <TMPDIR=H:\Progra> 54 4D 50 44 49 52 3D 48 3A 5C 50 72 6F 67 72 61 
{3835355} normal block at 0x000001868B2765C0, 64 bytes long.
 Data: <PATH=H:\ProgramD> 50 41 54 48 3D 48 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835342} normal block at 0x000001868964F300, 8 bytes long.
 Data: <  `&#137;&#134;   > 00 00 60 89 86 01 00 00 
{3833955} normal block at 0x000001868964ED60, 8 bytes long.
 Data: <&#192;A-&#139;&#134;   > C0 41 2D 8B 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018689650270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000186896458E0, 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 0x00000186896548B0, 16 bytes long.
 Data: <&#168;Ue&#137;&#134;           > A8 55 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018689654950, 16 bytes long.
 Data: < Ue&#137;&#134;           > 80 55 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001868964E590, 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 0x0000018689654FE0, 16 bytes long.
 Data: <XUe&#137;&#134;           > 58 55 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000186896543B0, 16 bytes long.
 Data: <0Ue&#137;&#134;           > 30 55 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018689654360, 16 bytes long.
 Data: < Ue&#137;&#134;           > 08 55 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018689654630, 16 bytes long.
 Data: <&#224;Te&#137;&#134;           > E0 54 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018689655990, 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 0x0000018689655210, 16 bytes long.
 Data: <H&#180;c&#137;&#134;           > 48 B4 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001868964E170, 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 0x0000018689654770, 16 bytes long.
 Data: < &#180;c&#137;&#134;           > 20 B4 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018689654680, 16 bytes long.
 Data: <&#248;&#179;c&#137;&#134;           > F8 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018689654860, 16 bytes long.
 Data: <&#208;&#179;c&#137;&#134;           > D0 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018689655080, 16 bytes long.
 Data: <&#168;&#179;c&#137;&#134;           > A8 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018689654D10, 16 bytes long.
 Data: < &#179;c&#137;&#134;           > 80 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018689654E50, 16 bytes long.
 Data: <X&#179;c&#137;&#134;           > 58 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001868964EBF0, 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 0x00000186896544A0, 16 bytes long.
 Data: <0&#179;c&#137;&#134;           > 30 B3 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001868963B330, 320 bytes long.
 Data: <&#160;De&#137;&#134;   &#240;&#235;d&#137;&#134;   > A0 44 65 89 86 01 00 00 F0 EB 64 89 86 01 00 00 
{273} normal block at 0x0000018689654F90, 16 bytes long.
 Data: <&#192;Te&#137;&#134;           > C0 54 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018689654EA0, 16 bytes long.
 Data: < Te&#137;&#134;           > 98 54 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001868964E050, 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 0x0000018689654EF0, 16 bytes long.
 Data: <pTe&#137;&#134;           > 70 54 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001868964DDB0, 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 0x0000018689654CC0, 16 bytes long.
 Data: <&#184;Se&#137;&#134;           > B8 53 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000186896546D0, 16 bytes long.
 Data: < Se&#137;&#134;           > 90 53 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018689654810, 16 bytes long.
 Data: <hSe&#137;&#134;           > 68 53 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018689655120, 16 bytes long.
 Data: <@Se&#137;&#134;           > 40 53 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018689654D60, 16 bytes long.
 Data: < Se&#137;&#134;           > 18 53 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018689654E00, 16 bytes long.
 Data: <&#240;Re&#137;&#134;           > F0 52 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018689654720, 16 bytes long.
 Data: < &#228;c&#137;&#134;           > 10 E4 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001868963E410, 40 bytes long.
 Data: < Ge&#137;&#134;   &#192;e'&#139;&#134;   > 20 47 65 89 86 01 00 00 C0 65 27 8B 86 01 00 00 
{259} normal block at 0x00000186896542C0, 16 bytes long.
 Data: <&#208;Re&#137;&#134;           > D0 52 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000186896551C0, 16 bytes long.
 Data: <&#168;Re&#137;&#134;           > A8 52 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001868964E4D0, 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 0x0000018689654310, 16 bytes long.
 Data: < Re&#137;&#134;           > 80 52 65 89 86 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018689655280, 992 bytes long.
 Data: < Ce&#137;&#134;   &#208;&#228;d&#137;&#134;   > 10 43 65 89 86 01 00 00 D0 E4 64 89 86 01 00 00 
{91} normal block at 0x000001868964E1D0, 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 0x000001868964F760, 16 bytes long.
 Data: < &#140;c&#137;&#134;           > 80 8C 63 89 86 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000018689638C80, 40 bytes long.
 Data: <`&#247;d&#137;&#134;   &#208;&#225;d&#137;&#134;   > 60 F7 64 89 86 01 00 00 D0 E1 64 89 86 01 00 00 
{68} normal block at 0x000001868964FCB0, 16 bytes long.
 Data: < &#234;&#137;.&#246;           > 80 EA 89 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001868964EFE0, 16 bytes long.
 Data: <@&#233;&#137;.&#246;           > 40 E9 89 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001868964F9E0, 16 bytes long.
 Data: <&#248;W&#134;.&#246;           > F8 57 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001868964EEA0, 16 bytes long.
 Data: <&#216;W&#134;.&#246;           > D8 57 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001868964F800, 16 bytes long.
 Data: <P &#134;.&#246;           > 50 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001868964EE50, 16 bytes long.
 Data: <0 &#134;.&#246;           > 30 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001868964FA80, 16 bytes long.
 Data: <&#224; &#134;.&#246;           > E0 02 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001868964F3F0, 16 bytes long.
 Data: <  &#134;.&#246;           > 10 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001868964F580, 16 bytes long.
 Data: <p &#134;.&#246;           > 70 04 86 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001868964F350, 16 bytes long.
 Data: < &#192;&#132;.&#246;           > 18 C0 84 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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