Task 38687223

Name test_425-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1249_0
Workunit 31628617
Created 28 Oct 2026, 6:37:26 UTC
Sent 28 Oct 2026, 6:37:33 UTC
Report deadline 2 Nov 2026, 6:37:33 UTC
Received 28 Oct 2026, 7:36:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 19 min 17 sec
CPU time 17 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.09 MB
Peak swap size 8.49 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:17:58 (53680): wrapper (7.9.26016): starting
02:17:58 (53680): 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
02:17:59 (53680): Library/usr/bin/tar.exe exited; CPU time 0.031250
02:17:59 (53680): 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\11\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\11\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
02:35:59 (53680): C:/Windows/system32/cmd.exe exited; CPU time 1058.390625
02:35:59 (53680): 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: 20518063 bytes.
Dumping objects ->
{3835250} normal block at 0x000001994496D540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000019942CA4CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000019942CA4C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000019942CA4DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000019942CA4BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x00000199449B8FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x0000019942C9F110, 8 bytes long.
 Data: <   C    > 00 00 06 43 99 01 00 00 
{3833961} normal block at 0x0000019942C9EB20, 8 bytes long.
 Data: <&#176;&#227;&#140;D    > B0 E3 8C 44 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019942CA0E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019942C96640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000019942CA5820, 16 bytes long.
 Data: < g&#202;B            > 98 67 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019942CA5500, 16 bytes long.
 Data: <pg&#202;B            > 70 67 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019942C9F8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000019942CA5D70, 16 bytes long.
 Data: <Hg&#202;B            > 48 67 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019942CA5550, 16 bytes long.
 Data: < g&#202;B            > 20 67 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019942CA54B0, 16 bytes long.
 Data: <&#248;f&#202;B            > F8 66 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019942CA57D0, 16 bytes long.
 Data: <&#208;f&#202;B            > D0 66 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019942CA48B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000019942CA6040, 16 bytes long.
 Data: < &#230;&#201;B            > 18 E6 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019942C9FAC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000019942CA63B0, 16 bytes long.
 Data: <&#240;&#229;&#201;B            > F0 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019942CA56E0, 16 bytes long.
 Data: <&#200;&#229;&#201;B            > C8 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019942CA59B0, 16 bytes long.
 Data: <&#160;&#229;&#201;B            > A0 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019942CA5AA0, 16 bytes long.
 Data: <x&#229;&#201;B            > 78 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019942CA5FA0, 16 bytes long.
 Data: <P&#229;&#201;B            > 50 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019942CA5960, 16 bytes long.
 Data: <(&#229;&#201;B            > 28 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019942CA0480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000019942CA5910, 16 bytes long.
 Data: < &#229;&#201;B            > 00 E5 C9 42 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019942C9E500, 320 bytes long.
 Data: < Y&#202;B      &#202;B    > 10 59 CA 42 99 01 00 00 80 04 CA 42 99 01 00 00 
{276} normal block at 0x0000019942CA5BE0, 16 bytes long.
 Data: <&#176;f&#202;B            > B0 66 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019942CA6310, 16 bytes long.
 Data: < f&#202;B            > 88 66 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019942CA00C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000019942CA5A50, 16 bytes long.
 Data: <`f&#202;B            > 60 66 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019942CA0600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000019942CA6220, 16 bytes long.
 Data: <&#168;e&#202;B            > A8 65 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019942CA5730, 16 bytes long.
 Data: < e&#202;B            > 80 65 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019942CA5B90, 16 bytes long.
 Data: <Xe&#202;B            > 58 65 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019942CA6360, 16 bytes long.
 Data: <0e&#202;B            > 30 65 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019942CA61D0, 16 bytes long.
 Data: < e&#202;B            > 08 65 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019942CA58C0, 16 bytes long.
 Data: <&#224;d&#202;B            > E0 64 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019942CA5B40, 16 bytes long.
 Data: <&#208;G&#202;B            > D0 47 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019942CA47D0, 40 bytes long.
 Data: <@[&#202;B    &#240; &#155;D    > 40 5B CA 42 99 01 00 00 F0 8F 9B 44 99 01 00 00 
{262} normal block at 0x0000019942CA5FF0, 16 bytes long.
 Data: <&#192;d&#202;B            > C0 64 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019942CA5780, 16 bytes long.
 Data: < d&#202;B            > 98 64 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019942CA05A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000019942CA5DC0, 16 bytes long.
 Data: <pd&#202;B            > 70 64 CA 42 99 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019942CA6470, 992 bytes long.
 Data: <&#192;]&#202;B    &#160; &#202;B    > C0 5D CA 42 99 01 00 00 A0 05 CA 42 99 01 00 00 
{94} normal block at 0x0000019942C9F880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000019942C9EAD0, 16 bytes long.
 Data: < &#237;&#200;B            > 80 ED C8 42 99 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019942C8ED80, 40 bytes long.
 Data: <&#208;&#234;&#201;B     &#248;&#201;B    > D0 EA C9 42 99 01 00 00 80 F8 C9 42 99 01 00 00 
{71} normal block at 0x0000019942C9E850, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019942C9F0C0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019942C9ECB0, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019942C9EF30, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019942C9E940, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019942C9EE90, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019942C9F1B0, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019942C9F340, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019942C9EE40, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019942C9EEE0, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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