Task 38649736

Name test_4-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND7664_0
Workunit 31594320
Created 23 Oct 2026, 21:59:11 UTC
Sent 23 Oct 2026, 22:14:33 UTC
Report deadline 28 Oct 2026, 22:14:33 UTC
Received 23 Oct 2026, 22:57:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 41 min 55 sec
CPU time 37 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.22 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:16:17 (26384): wrapper (7.9.26016): starting
19:16:17 (26384): 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
19:16:18 (26384): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:16:18 (26384): 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\2\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\2\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
19:56:58 (26384): C:/Windows/system32/cmd.exe exited; CPU time 2263.343750
19:56:58 (26384): 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: 41808395 bytes.
Dumping objects ->
{3835223} normal block at 0x00000217CDE408B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000217CDE41090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000217CDE412C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x00000217CDE41020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000217CDE40990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x00000217CDEEBC00, 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) : {3835135} normal block at 0x00000217CC24C290, 8 bytes long.
 Data: <   &#204;    > 00 00 7F CC 17 02 00 00 
{3833977} normal block at 0x00000217CC24C8D0, 8 bytes long.
 Data: < &#232;&#228;&#205;    > 80 E8 E4 CD 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000217CC24DF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000217CC246F70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000217CC254000, 16 bytes long.
 Data: <&#168;U%&#204;            > A8 55 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000217CC254730, 16 bytes long.
 Data: < U%&#204;            > 80 55 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000217CC24F0C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000217CC2543C0, 16 bytes long.
 Data: <XU%&#204;            > 58 55 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000217CC254B40, 16 bytes long.
 Data: <0U%&#204;            > 30 55 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000217CC2542D0, 16 bytes long.
 Data: < U%&#204;            > 08 55 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000217CC2541E0, 16 bytes long.
 Data: <&#224;T%&#204;            > E0 54 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000217CC24F610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000217CC2540A0, 16 bytes long.
 Data: <(&#251;#&#204;            > 28 FB 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217CC24EFA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000217CC254280, 16 bytes long.
 Data: < &#251;#&#204;            > 00 FB 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217CC2549B0, 16 bytes long.
 Data: <&#216;&#250;#&#204;            > D8 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000217CC254870, 16 bytes long.
 Data: <&#176;&#250;#&#204;            > B0 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000217CC254190, 16 bytes long.
 Data: < &#250;#&#204;            > 88 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000217CC2544B0, 16 bytes long.
 Data: <`&#250;#&#204;            > 60 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217CC254C30, 16 bytes long.
 Data: <8&#250;#&#204;            > 38 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217CC24F420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000217CC254230, 16 bytes long.
 Data: < &#250;#&#204;            > 10 FA 23 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217CC23FA10, 320 bytes long.
 Data: <0B%&#204;     &#244;$&#204;    > 30 42 25 CC 17 02 00 00 20 F4 24 CC 17 02 00 00 
{284} normal block at 0x00000217CC253F60, 16 bytes long.
 Data: <&#192;T%&#204;            > C0 54 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217CC254140, 16 bytes long.
 Data: < T%&#204;            > 98 54 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217CC24F300, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000217CC254820, 16 bytes long.
 Data: <pT%&#204;            > 70 54 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217CC24ECA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000217CC254370, 16 bytes long.
 Data: <&#184;S%&#204;            > B8 53 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217CC254320, 16 bytes long.
 Data: < S%&#204;            > 90 53 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217CC254D20, 16 bytes long.
 Data: <hS%&#204;            > 68 53 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217CC253FB0, 16 bytes long.
 Data: <@S%&#204;            > 40 53 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217CC254050, 16 bytes long.
 Data: < S%&#204;            > 18 53 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000217CC254960, 16 bytes long.
 Data: <&#240;R%&#204;            > F0 52 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217CC254CD0, 16 bytes long.
 Data: < &#249;$&#204;            > 90 F9 24 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217CC24F990, 40 bytes long.
 Data: <&#208;L%&#204;     &#188;&#238;&#205;    > D0 4C 25 CC 17 02 00 00 00 BC EE CD 17 02 00 00 
{270} normal block at 0x00000217CC254690, 16 bytes long.
 Data: <&#208;R%&#204;            > D0 52 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000217CC254C80, 16 bytes long.
 Data: <&#168;R%&#204;            > A8 52 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217CC24E760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000217CC254550, 16 bytes long.
 Data: < R%&#204;            > 80 52 25 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000217CC255280, 992 bytes long.
 Data: <PE%&#204;    `&#231;$&#204;    > 50 45 25 CC 17 02 00 00 60 E7 24 CC 17 02 00 00 
{102} normal block at 0x00000217CC24EA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000217CC24CE70, 16 bytes long.
 Data: <&#240;&#246;$&#204;            > F0 F6 24 CC 17 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000217CC24F6F0, 40 bytes long.
 Data: <p&#206;$&#204;    `&#234;$&#204;    > 70 CE 24 CC 17 02 00 00 60 EA 24 CC 17 02 00 00 
{79} normal block at 0x00000217CC24C4C0, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000217CC24C3D0, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000217CC24C330, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000217CC24C1A0, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000217CC24C6A0, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000217CC24CE20, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000217CC24CDD0, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000217CC24C240, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217CC24C060, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217CC24CCE0, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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