Task 38678287

Name test_226-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1126_0
Workunit 31620113
Created 26 Oct 2026, 16:56:42 UTC
Sent 26 Oct 2026, 16:56:43 UTC
Report deadline 31 Oct 2026, 16:56:43 UTC
Received 26 Oct 2026, 17:30:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643524
Run time 32 min 22 sec
CPU time 26 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.91 MB
Peak swap size 5.38 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:59:34 (5460): wrapper (7.9.26016): starting
17:59:34 (5460): 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
17:59:35 (5460): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:59:35 (5460): 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\12\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\12\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*/*.out: Cannot stat: No such file or directory
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
18:29:17 (5460): C:/Windows/system32/cmd.exe exited; CPU time 1602.546875
18:29:17 (5460): 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: 19726781 bytes.
Dumping objects ->
{3835269} normal block at 0x00000278EC7EC160, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000278EC7C2480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000278EC7C2B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835236} normal block at 0x00000278EC7C29C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000278EC7C28E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835194} normal block at 0x00000278EE4C8860, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000278EE4E0430, 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) : {3835180} normal block at 0x00000278EC7C3510, 8 bytes long.
 Data: <  r&#236;x   > 00 00 72 EC 78 02 00 00 
{3834560} normal block at 0x00000278EE4E09B0, 102 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 0x00000278EC7C40A0, 8 bytes long.
 Data: < &#187;M&#238;x   > 80 BB 4D EE 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000278EC7C4700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000278EC747CC0, 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 0x00000278EC7C3F60, 16 bytes long.
 Data: <&#168;0|&#236;x           > A8 30 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000278EC7C3EC0, 16 bytes long.
 Data: < 0|&#236;x           > 80 30 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000278EC7BA170, 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 0x00000278EC7C3740, 16 bytes long.
 Data: <X0|&#236;x           > 58 30 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000278EC7C3C40, 16 bytes long.
 Data: <00|&#236;x           > 30 30 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000278EC7BF2E0, 16 bytes long.
 Data: < 0|&#236;x           > 08 30 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000278EC7BF240, 16 bytes long.
 Data: <&#224;/|&#236;x           > E0 2F 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000278EC7C25D0, 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 0x00000278EC7BF010, 16 bytes long.
 Data: <X&#254;s&#236;x           > 58 FE 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000278EC7BAAD0, 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 0x00000278EC7BEED0, 16 bytes long.
 Data: <0&#254;s&#236;x           > 30 FE 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000278EC7BEDE0, 16 bytes long.
 Data: < &#254;s&#236;x           > 08 FE 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000278EC7BED90, 16 bytes long.
 Data: <&#224;&#253;s&#236;x           > E0 FD 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000278EC7BEA70, 16 bytes long.
 Data: <&#184;&#253;s&#236;x           > B8 FD 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000278EC7BE7F0, 16 bytes long.
 Data: < &#253;s&#236;x           > 90 FD 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000278EC7BF1F0, 16 bytes long.
 Data: <h&#253;s&#236;x           > 68 FD 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000278EC7BAA10, 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 0x00000278EC7BEC00, 16 bytes long.
 Data: <@&#253;s&#236;x           > 40 FD 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000278EC73FD40, 320 bytes long.
 Data: < &#236;{&#236;x    &#170;{&#236;x   > 00 EC 7B EC 78 02 00 00 10 AA 7B EC 78 02 00 00 
{273} normal block at 0x00000278EC7BECF0, 16 bytes long.
 Data: <&#192;/|&#236;x           > C0 2F 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000278EC7BF1A0, 16 bytes long.
 Data: < /|&#236;x           > 98 2F 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000278EC7BA3B0, 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 0x00000278EC7BF3D0, 16 bytes long.
 Data: <p/|&#236;x           > 70 2F 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000278EC7BA110, 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 0x00000278EC7BE6B0, 16 bytes long.
 Data: <&#184;.|&#236;x           > B8 2E 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000278EC7BEBB0, 16 bytes long.
 Data: < .|&#236;x           > 90 2E 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000278EC7BEA20, 16 bytes long.
 Data: <h.|&#236;x           > 68 2E 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000278EC7BE980, 16 bytes long.
 Data: <@.|&#236;x           > 40 2E 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000278EC7BE4D0, 16 bytes long.
 Data: < .|&#236;x           > 18 2E 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000278EC7BED40, 16 bytes long.
 Data: <&#240;-|&#236;x           > F0 2D 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000278EC7BF330, 16 bytes long.
 Data: < $|&#236;x           > 10 24 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000278EC7C2410, 40 bytes long.
 Data: <0&#243;{&#236;x   ` L&#238;x   > 30 F3 7B EC 78 02 00 00 60 88 4C EE 78 02 00 00 
{259} normal block at 0x00000278EC7BE840, 16 bytes long.
 Data: <&#208;-|&#236;x           > D0 2D 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000278EC7BE610, 16 bytes long.
 Data: <&#168;-|&#236;x           > A8 2D 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000278EC7BA950, 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 0x00000278EC7BECA0, 16 bytes long.
 Data: < -|&#236;x           > 80 2D 7C EC 78 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000278EC7C2D80, 992 bytes long.
 Data: <&#160;&#236;{&#236;x   P&#169;{&#236;x   > A0 EC 7B EC 78 02 00 00 50 A9 7B EC 78 02 00 00 
{91} normal block at 0x00000278EC7BA770, 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 0x00000278EC7BF290, 16 bytes long.
 Data: < &#197;s&#236;x           > 20 C5 73 EC 78 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000278EC73C520, 40 bytes long.
 Data: < &#242;{&#236;x   p&#167;{&#236;x   > 90 F2 7B EC 78 02 00 00 70 A7 7B EC 78 02 00 00 
{68} normal block at 0x00000278EC7BE520, 16 bytes long.
 Data: < &#234;&#246;&#242;&#246;           > 80 EA F6 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000278EC7BF060, 16 bytes long.
 Data: <@&#233;&#246;&#242;&#246;           > 40 E9 F6 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000278EC7BE890, 16 bytes long.
 Data: <&#248;W&#243;&#242;&#246;           > F8 57 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000278EC7BEAC0, 16 bytes long.
 Data: <&#216;W&#243;&#242;&#246;           > D8 57 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000278EC7BF0B0, 16 bytes long.
 Data: <P &#243;&#242;&#246;           > 50 04 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000278EC7BE9D0, 16 bytes long.
 Data: <0 &#243;&#242;&#246;           > 30 04 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000278EC782B20, 16 bytes long.
 Data: <&#224; &#243;&#242;&#246;           > E0 02 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000278EC785500, 16 bytes long.
 Data: <  &#243;&#242;&#246;           > 10 04 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000278EC785410, 16 bytes long.
 Data: <p &#243;&#242;&#246;           > 70 04 F3 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000278EC7854B0, 16 bytes long.
 Data: < &#192;&#241;&#242;&#246;           > 18 C0 F1 F2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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