Task 38676965

Name test_162-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7483_0
Workunit 31618856
Created 26 Oct 2026, 12:51:44 UTC
Sent 26 Oct 2026, 12:51:48 UTC
Report deadline 31 Oct 2026, 12:51:48 UTC
Received 26 Oct 2026, 15:12:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 50 min 25 sec
CPU time 46 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 476.46 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:21:54 (42100): wrapper (7.9.26016): starting
08:21:54 (42100): 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
08:21:58 (42100): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:21:58 (42100): 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
09:10:57 (42100): C:/Windows/system32/cmd.exe exited; CPU time 2774.796875
09:10:57 (42100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 70720837 bytes.
Dumping objects ->
{3835490} normal block at 0x0000021459BF57F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000021459BF5630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000021459BF5320, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000021459BF52B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000021459BF5710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x000002145B96B2B0, 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) : {3835402} normal block at 0x0000021459BEDB50, 8 bytes long.
 Data: <   Z    > 00 00 0B 5A 14 02 00 00 
{3833961} normal block at 0x0000021459BEDE70, 8 bytes long.
 Data: <&#176;K&#191;Y    > B0 4B BF 59 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021459BF20B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021459BE11C0, 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 0x0000021459BF6110, 16 bytes long.
 Data: <&#232;o&#191;Y            > E8 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021459BF6160, 16 bytes long.
 Data: <&#192;o&#191;Y            > C0 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021459BF00E0, 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 0x0000021459BF6660, 16 bytes long.
 Data: < o&#191;Y            > 98 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021459BF6430, 16 bytes long.
 Data: <po&#191;Y            > 70 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021459BF6BB0, 16 bytes long.
 Data: <Ho&#191;Y            > 48 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021459BF60C0, 16 bytes long.
 Data: < o&#191;Y            > 20 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021459BF5780, 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 0x0000021459BF6570, 16 bytes long.
 Data: <&#168;&#234;&#189;Y            > A8 EA BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021459BEFC60, 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 0x0000021459BF6250, 16 bytes long.
 Data: < &#234;&#189;Y            > 80 EA BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021459BF6980, 16 bytes long.
 Data: <X&#234;&#189;Y            > 58 EA BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021459BF6340, 16 bytes long.
 Data: <0&#234;&#189;Y            > 30 EA BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021459BF6930, 16 bytes long.
 Data: < &#234;&#189;Y            > 08 EA BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021459BF6020, 16 bytes long.
 Data: <&#224;&#233;&#189;Y            > E0 E9 BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021459BF6C00, 16 bytes long.
 Data: <&#184;&#233;&#189;Y            > B8 E9 BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021459BEF9C0, 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 0x0000021459BF5F30, 16 bytes long.
 Data: < &#233;&#189;Y            > 90 E9 BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021459BDE990, 320 bytes long.
 Data: <0_&#191;Y    &#192;&#249;&#190;Y    > 30 5F BF 59 14 02 00 00 C0 F9 BE 59 14 02 00 00 
{276} normal block at 0x0000021459BF62F0, 16 bytes long.
 Data: < o&#191;Y            > 00 6F BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021459BF6B60, 16 bytes long.
 Data: <&#216;n&#191;Y            > D8 6E BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021459BF0500, 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 0x0000021459BF5D00, 16 bytes long.
 Data: <&#176;n&#191;Y            > B0 6E BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021459BEF6C0, 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 0x0000021459BF6610, 16 bytes long.
 Data: <&#248;m&#191;Y            > F8 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021459BF61B0, 16 bytes long.
 Data: <&#208;m&#191;Y            > D0 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021459BF5F80, 16 bytes long.
 Data: <&#168;m&#191;Y            > A8 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021459BF5FD0, 16 bytes long.
 Data: < m&#191;Y            > 80 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021459BF6520, 16 bytes long.
 Data: <Xm&#191;Y            > 58 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021459BF6B10, 16 bytes long.
 Data: <0m&#191;Y            > 30 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021459BF64D0, 16 bytes long.
 Data: <&#240;P&#191;Y            > F0 50 BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021459BF50F0, 40 bytes long.
 Data: <&#208;d&#191;Y    &#176;&#178;&#150;[    > D0 64 BF 59 14 02 00 00 B0 B2 96 5B 14 02 00 00 
{262} normal block at 0x0000021459BF6480, 16 bytes long.
 Data: < m&#191;Y            > 10 6D BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021459BF6AC0, 16 bytes long.
 Data: <&#232;l&#191;Y            > E8 6C BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021459BF04A0, 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 0x0000021459BF6070, 16 bytes long.
 Data: <&#192;l&#191;Y            > C0 6C BF 59 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021459BF6CC0, 992 bytes long.
 Data: <p`&#191;Y    &#160; &#191;Y    > 70 60 BF 59 14 02 00 00 A0 04 BF 59 14 02 00 00 
{94} normal block at 0x0000021459BF0200, 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 0x0000021459BEDBA0, 16 bytes long.
 Data: < &#199;&#189;Y            > 90 C7 BD 59 14 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021459BDC790, 40 bytes long.
 Data: <&#160;&#219;&#190;Y      &#191;Y    > A0 DB BE 59 14 02 00 00 00 02 BF 59 14 02 00 00 
{71} normal block at 0x0000021459BEDE20, 16 bytes long.
 Data: < &#234;&#214;"&#247;           > 80 EA D6 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021459BEDB00, 16 bytes long.
 Data: <@&#233;&#214;"&#247;           > 40 E9 D6 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021459BEE230, 16 bytes long.
 Data: <&#248;W&#211;"&#247;           > F8 57 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021459BED9C0, 16 bytes long.
 Data: <&#216;W&#211;"&#247;           > D8 57 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021459BEDD30, 16 bytes long.
 Data: <P &#211;"&#247;           > 50 04 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021459BEDDD0, 16 bytes long.
 Data: <0 &#211;"&#247;           > 30 04 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021459BEE690, 16 bytes long.
 Data: <&#224; &#211;"&#247;           > E0 02 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021459BEE140, 16 bytes long.
 Data: <  &#211;"&#247;           > 10 04 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021459BEE5A0, 16 bytes long.
 Data: <p &#211;"&#247;           > 70 04 D3 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021459BEDAB0, 16 bytes long.
 Data: < &#192;&#209;"&#247;           > 18 C0 D1 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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