Task 38662805

Name test_1922-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4080_1
Workunit 31605965
Created 24 Oct 2026, 20:46:00 UTC
Sent 24 Oct 2026, 20:46:05 UTC
Report deadline 29 Oct 2026, 20:46:05 UTC
Received 24 Oct 2026, 21:46:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649650
Run time 19 min 6 sec
CPU time 17 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.51 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:37 (3096): wrapper (7.9.26016): starting
16:22:37 (3096): 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
16:22:38 (3096): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:22:38 (3096): 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
16:41:08 (3096): C:/Windows/system32/cmd.exe exited; CPU time 1038.140625
16:41:08 (3096): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14141719 bytes.
Dumping objects ->
{3835569} normal block at 0x0000020DFBE43960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000020DFBE43FF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000020DFBE43C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000020DFBE43F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000020DFBE43F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000020DFDBFA9F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000020DFBE44250, 235 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) : {3835480} normal block at 0x0000020DFBE3E310, 8 bytes long.
 Data: <  &#221;&#251;    > 00 00 DD FB 0D 02 00 00 
{3834703} normal block at 0x0000020DFBE44380, 235 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 0x0000020DFBE3EF90, 8 bytes long.
 Data: <@4&#197;&#253;    > 40 34 C5 FD 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020DFBE408D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020DFBE36810, 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 0x0000020DFBE45350, 16 bytes long.
 Data: < ]&#228;&#251;            > 18 5D E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020DFBE44630, 16 bytes long.
 Data: <&#240;\&#228;&#251;            > F0 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DFBE3FB80, 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 0x0000020DFBE44A90, 16 bytes long.
 Data: <&#200;\&#228;&#251;            > C8 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DFBE45120, 16 bytes long.
 Data: <&#160;\&#228;&#251;            > A0 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DFBE449F0, 16 bytes long.
 Data: <x\&#228;&#251;            > 78 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020DFBE44E50, 16 bytes long.
 Data: <P\&#228;&#251;            > 50 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DFBE2ED80, 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 0x0000020DFBE44F40, 16 bytes long.
 Data: <x&#241;&#226;&#251;            > 78 F1 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DFBE3F340, 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 0x0000020DFBE449A0, 16 bytes long.
 Data: <P&#241;&#226;&#251;            > 50 F1 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DFBE452B0, 16 bytes long.
 Data: <(&#241;&#226;&#251;            > 28 F1 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020DFBE44EA0, 16 bytes long.
 Data: < &#241;&#226;&#251;            > 00 F1 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020DFBE44950, 16 bytes long.
 Data: <&#216;&#240;&#226;&#251;            > D8 F0 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DFBE44860, 16 bytes long.
 Data: <&#176;&#240;&#226;&#251;            > B0 F0 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DFBE44D60, 16 bytes long.
 Data: < &#240;&#226;&#251;            > 88 F0 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DFBE40120, 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 0x0000020DFBE44CC0, 16 bytes long.
 Data: <`&#240;&#226;&#251;            > 60 F0 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020DFBE2F060, 320 bytes long.
 Data: <&#192;L&#228;&#251;      &#228;&#251;    > C0 4C E4 FB 0D 02 00 00 20 01 E4 FB 0D 02 00 00 
{273} normal block at 0x0000020DFBE45580, 16 bytes long.
 Data: <0\&#228;&#251;            > 30 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020DFBE448B0, 16 bytes long.
 Data: < \&#228;&#251;            > 08 5C E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DFBE3F4C0, 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 0x0000020DFBE454E0, 16 bytes long.
 Data: <&#224;[&#228;&#251;            > E0 5B E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DFBE3FDC0, 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 0x0000020DFBE44B80, 16 bytes long.
 Data: <([&#228;&#251;            > 28 5B E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020DFBE45170, 16 bytes long.
 Data: < [&#228;&#251;            > 00 5B E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DFBE44D10, 16 bytes long.
 Data: <&#216;Z&#228;&#251;            > D8 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020DFBE45530, 16 bytes long.
 Data: <&#176;Z&#228;&#251;            > B0 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020DFBE44C70, 16 bytes long.
 Data: < Z&#228;&#251;            > 88 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DFBE45490, 16 bytes long.
 Data: <`Z&#228;&#251;            > 60 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020DFBE450D0, 16 bytes long.
 Data: <@&#180;&#226;&#251;            > 40 B4 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DFBE2B440, 40 bytes long.
 Data: <&#208;P&#228;&#251;    &#240;&#169;&#191;&#253;    > D0 50 E4 FB 0D 02 00 00 F0 A9 BF FD 0D 02 00 00 
{259} normal block at 0x0000020DFBE45440, 16 bytes long.
 Data: <@Z&#228;&#251;            > 40 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020DFBE44C20, 16 bytes long.
 Data: < Z&#228;&#251;            > 18 5A E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020DFBE3F7C0, 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 0x0000020DFBE453F0, 16 bytes long.
 Data: <&#240;Y&#228;&#251;            > F0 59 E4 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020DFBE459F0, 992 bytes long.
 Data: <&#240;S&#228;&#251;    &#192;&#247;&#227;&#251;    > F0 53 E4 FB 0D 02 00 00 C0 F7 E3 FB 0D 02 00 00 
{91} normal block at 0x0000020DFBE3F880, 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 0x0000020DFBE3E6D0, 16 bytes long.
 Data: < &#197;&#226;&#251;            > 80 C5 E2 FB 0D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020DFBE2C580, 40 bytes long.
 Data: <&#208;&#230;&#227;&#251;     &#248;&#227;&#251;    > D0 E6 E3 FB 0D 02 00 00 80 F8 E3 FB 0D 02 00 00 
{68} normal block at 0x0000020DFBE3E810, 16 bytes long.
 Data: < &#234;&#245; &#246;           > 80 EA F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020DFBE3E590, 16 bytes long.
 Data: <@&#233;&#245; &#246;           > 40 E9 F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020DFBE3E2C0, 16 bytes long.
 Data: <&#248;W&#242; &#246;           > F8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020DFBE3F0D0, 16 bytes long.
 Data: <&#216;W&#242; &#246;           > D8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DFBE3EEF0, 16 bytes long.
 Data: <P &#242; &#246;           > 50 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020DFBE3E4A0, 16 bytes long.
 Data: <0 &#242; &#246;           > 30 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020DFBE3E400, 16 bytes long.
 Data: <&#224; &#242; &#246;           > E0 02 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020DFBE3E540, 16 bytes long.
 Data: <  &#242; &#246;           > 10 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020DFBE3EC20, 16 bytes long.
 Data: <p &#242; &#246;           > 70 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020DFBE3E860, 16 bytes long.
 Data: < &#192;&#240; &#246;           > 18 C0 F0 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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