Task 38681136

Name test_291-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9472_0
Workunit 31622818
Created 27 Oct 2026, 2:49:04 UTC
Sent 27 Oct 2026, 2:49:13 UTC
Report deadline 1 Nov 2026, 2:49:13 UTC
Received 27 Oct 2026, 5:17:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 33 min 9 sec
CPU time 30 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.24 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:42:38 (14120): wrapper (7.9.26016): starting
06:42:38 (14120): 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
06:42:42 (14120): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:42:42 (14120): 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\24\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\24\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
07:16:35 (14120): C:/Windows/system32/cmd.exe exited; CPU time 1836.203125
07:16:35 (14120): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 25902753 bytes.
Dumping objects ->
{3835256} normal block at 0x0000018BE0BE4910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000018BE0BE54E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000018BE0BE48A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000018BE0BE55C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000018BE0BE5470, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000018BE288E920, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000018BE28DD1A0, 180 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) : {3835166} normal block at 0x0000018BE0BB5AE0, 8 bytes long.
 Data: <  &#180;&#224;&#139;   > 00 00 B4 E0 8B 01 00 00 
{3834558} normal block at 0x0000018BE28DD560, 180 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 0x0000018BE0BB62B0, 8 bytes long.
 Data: <0&#234;&#201;&#224;&#139;   > 30 EA C9 E0 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000018BE0BBFF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BE0BC0F80, 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 0x0000018BE0BC13A0, 16 bytes long.
 Data: < %&#188;&#224;&#139;           > 18 25 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018BE0BC16C0, 16 bytes long.
 Data: <&#240;$&#188;&#224;&#139;           > F0 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018BE0BBC310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000018BE0BC11C0, 16 bytes long.
 Data: <&#200;$&#188;&#224;&#139;           > C8 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018BE0BC1170, 16 bytes long.
 Data: <&#160;$&#188;&#224;&#139;           > A0 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018BE0BC10D0, 16 bytes long.
 Data: <x$&#188;&#224;&#139;           > 78 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018BE0BC1F30, 16 bytes long.
 Data: <P$&#188;&#224;&#139;           > 50 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BE0BBA360, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000018BE0BC1A30, 16 bytes long.
 Data: <  &#188;&#224;&#139;           > 18 0F BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BE0BBC550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000018BE0BC1260, 16 bytes long.
 Data: <&#240; &#188;&#224;&#139;           > F0 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018BE0BC19E0, 16 bytes long.
 Data: <&#200; &#188;&#224;&#139;           > C8 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018BE0BC1990, 16 bytes long.
 Data: <&#160; &#188;&#224;&#139;           > A0 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018BE0BC15D0, 16 bytes long.
 Data: <x &#188;&#224;&#139;           > 78 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018BE0BC1AD0, 16 bytes long.
 Data: <P &#188;&#224;&#139;           > 50 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018BE0BC1120, 16 bytes long.
 Data: <( &#188;&#224;&#139;           > 28 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018BE0BBC670, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000018BE0BC14E0, 16 bytes long.
 Data: <  &#188;&#224;&#139;           > 00 0E BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018BE0BC0E00, 320 bytes long.
 Data: <&#224; &#188;&#224;&#139;   p&#198;&#187;&#224;&#139;   > E0 14 BC E0 8B 01 00 00 70 C6 BB E0 8B 01 00 00 
{273} normal block at 0x0000018BE0BC1D50, 16 bytes long.
 Data: <0$&#188;&#224;&#139;           > 30 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018BE0BC1800, 16 bytes long.
 Data: < $&#188;&#224;&#139;           > 08 24 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BE0BBB950, 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 0x0000018BE0BC1C10, 16 bytes long.
 Data: <&#224;#&#188;&#224;&#139;           > E0 23 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018BE0BBBA70, 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 0x0000018BE0BC1940, 16 bytes long.
 Data: <(#&#188;&#224;&#139;           > 28 23 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018BE0BC1EE0, 16 bytes long.
 Data: < #&#188;&#224;&#139;           > 00 23 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018BE0BC1E90, 16 bytes long.
 Data: <&#216;"&#188;&#224;&#139;           > D8 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018BE0BC1A80, 16 bytes long.
 Data: <&#176;"&#188;&#224;&#139;           > B0 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018BE0BC1F80, 16 bytes long.
 Data: < "&#188;&#224;&#139;           > 88 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018BE0BC1DA0, 16 bytes long.
 Data: <`"&#188;&#224;&#139;           > 60 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018BE0BC1B70, 16 bytes long.
 Data: <&#176;&#164;&#187;&#224;&#139;           > B0 A4 BB E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018BE0BBA4B0, 40 bytes long.
 Data: <p &#188;&#224;&#139;    &#233; &#226;&#139;   > 70 1B BC E0 8B 01 00 00 20 E9 88 E2 8B 01 00 00 
{259} normal block at 0x0000018BE0BC18F0, 16 bytes long.
 Data: <@"&#188;&#224;&#139;           > 40 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018BE0BC1FD0, 16 bytes long.
 Data: < "&#188;&#224;&#139;           > 18 22 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018BE0BBBF50, 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 0x0000018BE0BC1530, 16 bytes long.
 Data: <&#240;!&#188;&#224;&#139;           > F0 21 BC E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018BE0BC21F0, 992 bytes long.
 Data: <0 &#188;&#224;&#139;   P&#191;&#187;&#224;&#139;   > 30 15 BC E0 8B 01 00 00 50 BF BB E0 8B 01 00 00 
{91} normal block at 0x0000018BE0BBBE90, 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 0x0000018BE0BB5900, 16 bytes long.
 Data: <0&#161;&#187;&#224;&#139;           > 30 A1 BB E0 8B 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000018BE0BBA130, 40 bytes long.
 Data: < Y&#187;&#224;&#139;   &#144;&#190;&#187;&#224;&#139;   > 00 59 BB E0 8B 01 00 00 90 BE BB E0 8B 01 00 00 
{68} normal block at 0x0000018BE0BB6080, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018BE0BB6260, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018BE0BB5DB0, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018BE0BB5FE0, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018BE0BB6210, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018BE0BB61C0, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018BE0BB5D10, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018BE0BB65D0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018BE0BB5CC0, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018BE0BB5E00, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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