Task 38654689

Name test_610-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND5615_1
Workunit 31598356
Created 24 Oct 2026, 7:44:36 UTC
Sent 24 Oct 2026, 7:44:42 UTC
Report deadline 29 Oct 2026, 7:44:42 UTC
Received 24 Oct 2026, 9:58:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 40 sec
CPU time 18 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.56 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
03:28:31 (52780): wrapper (7.9.26016): starting
03:28:31 (52780): 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
03:28:33 (52780): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:28:33 (52780): 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\22\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\22\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
03:49:16 (52780): C:/Windows/system32/cmd.exe exited; CPU time 1113.781250
03:49:16 (52780): 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: 34431405 bytes.
Dumping objects ->
{3835311} normal block at 0x0000024F261AAC50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x0000024F261AAB70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000024F261AA6A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000024F261AA390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000024F261AB270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x0000024F2614D980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000024F261AF4E0, 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) : {3835222} normal block at 0x0000024F2446F310, 8 bytes long.
 Data: <  &#161;$O   > 00 00 A1 24 4F 02 00 00 
{3834575} normal block at 0x0000024F261AE880, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000024F2446ED70, 8 bytes long.
 Data: <&#160;I &O   > A0 49 1F 26 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024F244668A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024F244671C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024F244767D0, 16 bytes long.
 Data: <&#168;ZG$O           > A8 5A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024F24476910, 16 bytes long.
 Data: < ZG$O           > 80 5A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024F244706D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000024F24476A00, 16 bytes long.
 Data: <XZG$O           > 58 5A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024F244760F0, 16 bytes long.
 Data: <0ZG$O           > 30 5A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F24476640, 16 bytes long.
 Data: < ZG$O           > 08 5A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024F24476730, 16 bytes long.
 Data: <&#224;YG$O           > E0 59 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F24473B10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024F24476190, 16 bytes long.
 Data: <&#232;&#251;E$O           > E8 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024F244702B0, 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 0x0000024F244768C0, 16 bytes long.
 Data: <&#192;&#251;E$O           > C0 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F24476460, 16 bytes long.
 Data: < &#251;E$O           > 98 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F24476550, 16 bytes long.
 Data: <p&#251;E$O           > 70 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F24476280, 16 bytes long.
 Data: <H&#251;E$O           > 48 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F244763C0, 16 bytes long.
 Data: < &#251;E$O           > 20 FB 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F244766E0, 16 bytes long.
 Data: <&#248;&#250;E$O           > F8 FA 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024F24470730, 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 0x0000024F24476050, 16 bytes long.
 Data: <&#208;&#250;E$O           > D0 FA 45 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F2445FAD0, 320 bytes long.
 Data: <P`G$O   0 G$O   > 50 60 47 24 4F 02 00 00 30 07 47 24 4F 02 00 00 
{276} normal block at 0x0000024F24476870, 16 bytes long.
 Data: <&#192;YG$O           > C0 59 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F24476500, 16 bytes long.
 Data: < YG$O           > 98 59 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F24470430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024F24475D30, 16 bytes long.
 Data: <pYG$O           > 70 59 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F244703D0, 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 0x0000024F244765F0, 16 bytes long.
 Data: <&#184;XG$O           > B8 58 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024F24476230, 16 bytes long.
 Data: < XG$O           > 90 58 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024F24476780, 16 bytes long.
 Data: <hXG$O           > 68 58 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024F24476410, 16 bytes long.
 Data: <@XG$O           > 40 58 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024F24476820, 16 bytes long.
 Data: < XG$O           > 18 58 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024F2446F220, 16 bytes long.
 Data: <&#240;WG$O           > F0 57 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024F2446F180, 16 bytes long.
 Data: <&#160;:G$O           > A0 3A 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024F24473AA0, 40 bytes long.
 Data: < &#241;F$O    &#217; &O   > 80 F1 46 24 4F 02 00 00 80 D9 14 26 4F 02 00 00 
{262} normal block at 0x0000024F2446EB90, 16 bytes long.
 Data: <&#208;WG$O           > D0 57 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024F2446EFF0, 16 bytes long.
 Data: <&#168;WG$O           > A8 57 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024F2446FDD0, 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 0x0000024F2446ECD0, 16 bytes long.
 Data: < WG$O           > 80 57 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024F24475780, 992 bytes long.
 Data: <&#208;&#236;F$O   &#208;&#253;F$O   > D0 EC 46 24 4F 02 00 00 D0 FD 46 24 4F 02 00 00 
{94} normal block at 0x0000024F24470010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000024F2446EAF0, 16 bytes long.
 Data: < ;G$O           > 80 3B 47 24 4F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024F24473B80, 40 bytes long.
 Data: <&#240;&#234;F$O     G$O   > F0 EA 46 24 4F 02 00 00 10 00 47 24 4F 02 00 00 
{71} normal block at 0x0000024F2446E640, 16 bytes long.
 Data: < &#234;&#225;>&#246;           > 80 EA E1 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024F2446E550, 16 bytes long.
 Data: <@&#233;&#225;>&#246;           > 40 E9 E1 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024F2446E960, 16 bytes long.
 Data: <&#248;W&#222;>&#246;           > F8 57 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024F2446E5A0, 16 bytes long.
 Data: <&#216;W&#222;>&#246;           > D8 57 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024F2446E8C0, 16 bytes long.
 Data: <P &#222;>&#246;           > 50 04 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024F2446E730, 16 bytes long.
 Data: <0 &#222;>&#246;           > 30 04 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024F2446F270, 16 bytes long.
 Data: <&#224; &#222;>&#246;           > E0 02 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024F2446E820, 16 bytes long.
 Data: <  &#222;>&#246;           > 10 04 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024F2446F2C0, 16 bytes long.
 Data: <p &#222;>&#246;           > 70 04 DE 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024F2446EC80, 16 bytes long.
 Data: < &#192;&#220;>&#246;           > 18 C0 DC 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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