Task 38676725

Name test_70-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0427_0
Workunit 31618625
Created 26 Oct 2026, 12:08:42 UTC
Sent 26 Oct 2026, 12:08:58 UTC
Report deadline 31 Oct 2026, 12:08:58 UTC
Received 26 Oct 2026, 13:10:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 56 min 3 sec
CPU time 51 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.80 MB
Peak swap size 5.23 GB
Peak disk usage 3.60 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:17:06 (5152): wrapper (7.9.26016): starting
05:17:06 (5152): 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
05:17:10 (5152): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:17:10 (5152): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
06:09:42 (5152): C:/Windows/system32/cmd.exe exited; CPU time 3103.781250
06:09:42 (5152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36151431 bytes.
Dumping objects ->
{3835225} normal block at 0x0000016D0476BCF0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x0000016D02C0FCD0, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x0000016D02C0FF00, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x0000016D02C0FD40, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x0000016D02C0F870, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x0000016D0476C8F0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x0000016D046CE090, 160 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) : {3835136} normal block at 0x0000016D02C06D30, 8 bytes long.
 Data: <  X m   > 00 00 58 04 6D 01 00 00 
{3834541} normal block at 0x0000016D046CDA70, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000016D02C06CE0, 8 bytes long.
 Data: < |&#133; m   > 00 7C 85 04 6D 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016D02C102B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016D02BFAC00, 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 0x0000016D02C11CA0, 16 bytes long.
 Data: <&#232;9&#193; m           > E8 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016D02C11610, 16 bytes long.
 Data: <&#192;9&#193; m           > C0 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016D02C0D5F0, 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 0x0000016D02C11B10, 16 bytes long.
 Data: < 9&#193; m           > 98 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016D02C11930, 16 bytes long.
 Data: <p9&#193; m           > 70 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016D02C11520, 16 bytes long.
 Data: <H9&#193; m           > 48 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016D02C11AC0, 16 bytes long.
 Data: < 9&#193; m           > 20 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016D02C0FA30, 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 0x0000016D02C11840, 16 bytes long.
 Data: <&#184;&#188;&#191; m           > B8 BC BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016D02C0D770, 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 0x0000016D02C11DE0, 16 bytes long.
 Data: < &#188;&#191; m           > 90 BC BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016D02C12240, 16 bytes long.
 Data: <h&#188;&#191; m           > 68 BC BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016D02C11BB0, 16 bytes long.
 Data: <@&#188;&#191; m           > 40 BC BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016D02C11B60, 16 bytes long.
 Data: < &#188;&#191; m           > 18 BC BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016D02C12060, 16 bytes long.
 Data: <&#240;&#187;&#191; m           > F0 BB BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016D02C12150, 16 bytes long.
 Data: <&#200;&#187;&#191; m           > C8 BB BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016D02C0D830, 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 0x0000016D02C113E0, 16 bytes long.
 Data: <&#160;&#187;&#191; m           > A0 BB BF 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016D02BFBBA0, 320 bytes long.
 Data: <&#224; &#193; m   0&#216;&#192; m   > E0 13 C1 02 6D 01 00 00 30 D8 C0 02 6D 01 00 00 
{273} normal block at 0x0000016D02C12010, 16 bytes long.
 Data: < 9&#193; m           > 00 39 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016D02C115C0, 16 bytes long.
 Data: <&#216;8&#193; m           > D8 38 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016D02C0D3B0, 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 0x0000016D02C11A70, 16 bytes long.
 Data: <&#176;8&#193; m           > B0 38 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016D02C0D6B0, 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 0x0000016D02C119D0, 16 bytes long.
 Data: <&#248;7&#193; m           > F8 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016D02C11390, 16 bytes long.
 Data: <&#208;7&#193; m           > D0 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016D02C118E0, 16 bytes long.
 Data: <&#168;7&#193; m           > A8 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016D02C11890, 16 bytes long.
 Data: < 7&#193; m           > 80 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016D02C11CF0, 16 bytes long.
 Data: <X7&#193; m           > 58 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016D02C11340, 16 bytes long.
 Data: <07&#193; m           > 30 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016D02C114D0, 16 bytes long.
 Data: <&#176;&#253;&#192; m           > B0 FD C0 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016D02C0FDB0, 40 bytes long.
 Data: <&#208; &#193; m   &#240;&#200;v m   > D0 14 C1 02 6D 01 00 00 F0 C8 76 04 6D 01 00 00 
{259} normal block at 0x0000016D02C121A0, 16 bytes long.
 Data: < 7&#193; m           > 10 37 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016D02C112F0, 16 bytes long.
 Data: <&#232;6&#193; m           > E8 36 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016D02C0D470, 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 0x0000016D02C11A20, 16 bytes long.
 Data: <&#192;6&#193; m           > C0 36 C1 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016D02C136C0, 992 bytes long.
 Data: <  &#193; m   p&#212;&#192; m   > 20 1A C1 02 6D 01 00 00 70 D4 C0 02 6D 01 00 00 
{91} normal block at 0x0000016D02C0CFF0, 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 0x0000016D02C07460, 16 bytes long.
 Data: < &#251;&#192; m           > 10 FB C0 02 6D 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000016D02C0FB10, 40 bytes long.
 Data: <`t&#192; m   &#240;&#207;&#192; m   > 60 74 C0 02 6D 01 00 00 F0 CF C0 02 6D 01 00 00 
{68} normal block at 0x0000016D02C06C90, 16 bytes long.
 Data: < &#234; 4&#246;           > 80 EA 07 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016D02C06790, 16 bytes long.
 Data: <@&#233; 4&#246;           > 40 E9 07 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016D02C06B00, 16 bytes long.
 Data: <&#248;W 4&#246;           > F8 57 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016D02C067E0, 16 bytes long.
 Data: <&#216;W 4&#246;           > D8 57 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016D02C06AB0, 16 bytes long.
 Data: <P  4&#246;           > 50 04 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016D02C07320, 16 bytes long.
 Data: <0  4&#246;           > 30 04 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016D02C072D0, 16 bytes long.
 Data: <&#224;  4&#246;           > E0 02 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016D02C071E0, 16 bytes long.
 Data: <   4&#246;           > 10 04 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016D02C066F0, 16 bytes long.
 Data: <p  4&#246;           > 70 04 04 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016D02C06D80, 16 bytes long.
 Data: < &#192; 4&#246;           > 18 C0 02 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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