Task 38682289

Name test_121-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6959_0
Workunit 31623912
Created 27 Oct 2026, 7:14:31 UTC
Sent 27 Oct 2026, 7:14:34 UTC
Report deadline 1 Nov 2026, 7:14:34 UTC
Received 27 Oct 2026, 11:17:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 12 sec
CPU time 1 hours 2 min 12 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 706.40 MB
Peak swap size 11.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:10:50 (12032): wrapper (7.9.26016): starting
11:10:50 (12032): 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
11:10:52 (12032): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:10:52 (12032): 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\29\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\29\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
12:16:11 (12032): C:/Windows/system32/cmd.exe exited; CPU time 3732.906250
12:16:11 (12032): 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: 58529031 bytes.
Dumping objects ->
{3835271} normal block at 0x0000022A7C266E10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000022A7C266B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000022A7C267350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000022A7C267120, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000022A7C2672E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000022A7C20B610, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022A7C26D7B0, 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) : {3835182} normal block at 0x0000022A7A526890, 8 bytes long.
 Data: <  &#247;{*   > 00 00 F7 7B 2A 02 00 00 
{3834555} normal block at 0x0000022A7C26D390, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000022A7A526CF0, 8 bytes long.
 Data: < x/|*   > 00 78 2F 7C 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022A7A531190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022A7A51AE10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022A7A5328B0, 16 bytes long.
 Data: < 6Sz*           > 88 36 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022A7A532450, 16 bytes long.
 Data: <`6Sz*           > 60 36 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022A7A52D180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022A7A532A90, 16 bytes long.
 Data: <86Sz*           > 38 36 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A7A532400, 16 bytes long.
 Data: < 6Sz*           > 10 36 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A7A532860, 16 bytes long.
 Data: <&#232;5Sz*           > E8 35 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A7A5327C0, 16 bytes long.
 Data: <&#192;5Sz*           > C0 35 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A7A52B370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022A7A532770, 16 bytes long.
 Data: <&#184;&#196;Rz*           > B8 C4 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022A7A52CE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022A7A532C70, 16 bytes long.
 Data: < &#196;Rz*           > 90 C4 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A7A532270, 16 bytes long.
 Data: <h&#196;Rz*           > 68 C4 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A7A532130, 16 bytes long.
 Data: <@&#196;Rz*           > 40 C4 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022A7A532220, 16 bytes long.
 Data: < &#196;Rz*           > 18 C4 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A7A532090, 16 bytes long.
 Data: <&#240;&#195;Rz*           > F0 C3 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022A7A532900, 16 bytes long.
 Data: <&#200;&#195;Rz*           > C8 C3 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A7A52C700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000022A7A5321D0, 16 bytes long.
 Data: <&#160;&#195;Rz*           > A0 C3 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A7A52C3A0, 320 bytes long.
 Data: <&#208;!Sz*    &#199;Rz*   > D0 21 53 7A 2A 02 00 00 00 C7 52 7A 2A 02 00 00 
{269} normal block at 0x0000022A7A531FA0, 16 bytes long.
 Data: <&#160;5Sz*           > A0 35 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A7A532720, 16 bytes long.
 Data: <x5Sz*           > 78 35 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022A7A52CE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022A7A5326D0, 16 bytes long.
 Data: <P5Sz*           > 50 35 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A7A52C9A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022A7A531FF0, 16 bytes long.
 Data: < 4Sz*           > 98 34 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A7A532540, 16 bytes long.
 Data: <p4Sz*           > 70 34 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A7A532180, 16 bytes long.
 Data: <H4Sz*           > 48 34 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022A7A532EF0, 16 bytes long.
 Data: < 4Sz*           > 20 34 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A7A5329F0, 16 bytes long.
 Data: <&#248;3Sz*           > F8 33 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022A7A532AE0, 16 bytes long.
 Data: <&#208;3Sz*           > D0 33 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022A7A532810, 16 bytes long.
 Data: <@&#177;Rz*           > 40 B1 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022A7A52B140, 40 bytes long.
 Data: < (Sz*    &#182; |*   > 10 28 53 7A 2A 02 00 00 10 B6 20 7C 2A 02 00 00 
{255} normal block at 0x0000022A7A532C20, 16 bytes long.
 Data: <&#176;3Sz*           > B0 33 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022A7A532BD0, 16 bytes long.
 Data: < 3Sz*           > 88 33 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022A7A52CA00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022A7A532A40, 16 bytes long.
 Data: <`3Sz*           > 60 33 53 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022A7A533360, 992 bytes long.
 Data: <@*Sz*    &#202;Rz*   > 40 2A 53 7A 2A 02 00 00 00 CA 52 7A 2A 02 00 00 
{87} normal block at 0x0000022A7A52CDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022A7A526CA0, 16 bytes long.
 Data: <&#160;&#181;Rz*           > A0 B5 52 7A 2A 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022A7A52B5A0, 40 bytes long.
 Data: <&#160;lRz*   &#192;&#205;Rz*   > A0 6C 52 7A 2A 02 00 00 C0 CD 52 7A 2A 02 00 00 
{64} normal block at 0x0000022A7A5269D0, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022A7A5271A0, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022A7A5267A0, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022A7A526750, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022A7A527060, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022A7A526DE0, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022A7A526480, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022A7A526D40, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022A7A526390, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022A7A5271F0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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