Task 38676528

Name test_439-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0034_0
Workunit 31618435
Created 26 Oct 2026, 11:35:15 UTC
Sent 26 Oct 2026, 11:35:27 UTC
Report deadline 31 Oct 2026, 11:35:27 UTC
Received 26 Oct 2026, 12:57:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652341
Run time 1 hours 1 min 50 sec
CPU time 38 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.73 MB
Peak swap size 2.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:57:27 (4248): wrapper (7.9.26016): starting
12:57:27 (4248): 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
12:57:30 (4248): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:30 (4248): 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
13:57:19 (4248): C:/Windows/system32/cmd.exe exited; CPU time 2294.406250
13:57:19 (4248): 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: 44427381 bytes.
Dumping objects ->
{3835271} normal block at 0x000001E60372C730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001E60372C570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x000001E601C543A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x000001E601C54250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001E601C54100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x000001E603774640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001E60378E050, 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) : {3835182} normal block at 0x000001E601C4E890, 8 bytes long.
 Data: <  ] &#230;   > 00 00 5D 03 E6 01 00 00 
{3834562} normal block at 0x000001E60378DE40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001E601C4E340, 8 bytes long.
 Data: < 9&#197; &#230;   > 90 39 C5 01 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E601C50040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E601C45500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E601C55890, 16 bytes long.
 Data: <&#200;\&#197; &#230;           > C8 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E601C555C0, 16 bytes long.
 Data: <&#160;\&#197; &#230;           > A0 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E601C4ED30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E601C55750, 16 bytes long.
 Data: <x\&#197; &#230;           > 78 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E601C55340, 16 bytes long.
 Data: <P\&#197; &#230;           > 50 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E601C54A30, 16 bytes long.
 Data: <(\&#197; &#230;           > 28 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E601C552F0, 16 bytes long.
 Data: < \&#197; &#230;           > 00 5C C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E601C546B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E601C552A0, 16 bytes long.
 Data: <H&#180;&#195; &#230;           > 48 B4 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E601C4F690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E601C55390, 16 bytes long.
 Data: < &#180;&#195; &#230;           > 20 B4 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E601C55250, 16 bytes long.
 Data: <&#248;&#179;&#195; &#230;           > F8 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E601C54B70, 16 bytes long.
 Data: <&#208;&#179;&#195; &#230;           > D0 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E601C54AD0, 16 bytes long.
 Data: <&#168;&#179;&#195; &#230;           > A8 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E601C55700, 16 bytes long.
 Data: < &#179;&#195; &#230;           > 80 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E601C54C60, 16 bytes long.
 Data: <X&#179;&#195; &#230;           > 58 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E601C4F9F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E601C55200, 16 bytes long.
 Data: <0&#179;&#195; &#230;           > 30 B3 C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E601C3B330, 320 bytes long.
 Data: < R&#197; &#230;   &#240;&#249;&#196; &#230;   > 00 52 C5 01 E6 01 00 00 F0 F9 C4 01 E6 01 00 00 
{274} normal block at 0x000001E601C556B0, 16 bytes long.
 Data: <&#224;[&#197; &#230;           > E0 5B C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E601C55570, 16 bytes long.
 Data: <&#184;[&#197; &#230;           > B8 5B C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E601C4EF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E601C55160, 16 bytes long.
 Data: < [&#197; &#230;           > 90 5B C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E601C4F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E601C55070, 16 bytes long.
 Data: <&#216;Z&#197; &#230;           > D8 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E601C55660, 16 bytes long.
 Data: <&#176;Z&#197; &#230;           > B0 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E601C55430, 16 bytes long.
 Data: < Z&#197; &#230;           > 88 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E601C55840, 16 bytes long.
 Data: <`Z&#197; &#230;           > 60 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E601C55020, 16 bytes long.
 Data: <8Z&#197; &#230;           > 38 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E601C54C10, 16 bytes long.
 Data: < Z&#197; &#230;           > 10 5A C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E601C54F80, 16 bytes long.
 Data: <&#192;B&#197; &#230;           > C0 42 C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E601C542C0, 40 bytes long.
 Data: < O&#197; &#230;   @Fw &#230;   > 80 4F C5 01 E6 01 00 00 40 46 77 03 E6 01 00 00 
{260} normal block at 0x000001E601C54EE0, 16 bytes long.
 Data: <&#240;Y&#197; &#230;           > F0 59 C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E601C551B0, 16 bytes long.
 Data: <&#200;Y&#197; &#230;           > C8 59 C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E601C4FB70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E601C54F30, 16 bytes long.
 Data: <&#160;Y&#197; &#230;           > A0 59 C5 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E601C559A0, 992 bytes long.
 Data: <0O&#197; &#230;   p&#251;&#196; &#230;   > 30 4F C5 01 E6 01 00 00 70 FB C4 01 E6 01 00 00 
{92} normal block at 0x000001E601C4F8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E601C4DC60, 16 bytes long.
 Data: <P&#218;&#195; &#230;           > 50 DA C3 01 E6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E601C3DA50, 40 bytes long.
 Data: <`&#220;&#196; &#230;   &#208;&#248;&#196; &#230;   > 60 DC C4 01 E6 01 00 00 D0 F8 C4 01 E6 01 00 00 
{69} normal block at 0x000001E601C4E7F0, 16 bytes long.
 Data: < &#234; &#168;&#247;           > 80 EA 12 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E601C4DF80, 16 bytes long.
 Data: <@&#233; &#168;&#247;           > 40 E9 12 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E601C4E2F0, 16 bytes long.
 Data: <&#248;W &#168;&#247;           > F8 57 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E601C4E4D0, 16 bytes long.
 Data: <&#216;W &#168;&#247;           > D8 57 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E601C4E160, 16 bytes long.
 Data: <P  &#168;&#247;           > 50 04 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E601C4EB10, 16 bytes long.
 Data: <0  &#168;&#247;           > 30 04 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E601C4E480, 16 bytes long.
 Data: <&#224;  &#168;&#247;           > E0 02 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E601C4E570, 16 bytes long.
 Data: <   &#168;&#247;           > 10 04 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E601C4E520, 16 bytes long.
 Data: <p  &#168;&#247;           > 70 04 0F A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E601C4DEE0, 16 bytes long.
 Data: < &#192; &#168;&#247;           > 18 C0 0D A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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