Task 38672012

Name test_556-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0069_0
Workunit 31614187
Created 25 Oct 2026, 22:12:47 UTC
Sent 25 Oct 2026, 22:12:55 UTC
Report deadline 30 Oct 2026, 22:12:55 UTC
Received 25 Oct 2026, 23:01:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 15 min 4 sec
CPU time 13 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.43 MB
Peak swap size 13.06 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:47:04 (15364): wrapper (7.9.26016): starting
23:47:04 (15364): 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
23:47:05 (15364): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:47:05 (15364): 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:\DataBOINC\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:\DataBOINC\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
00:01:32 (15364): C:/Windows/system32/cmd.exe exited; CPU time 822.375000
00:01:32 (15364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 14137205 bytes.
Dumping objects ->
{3835610} normal block at 0x00000208057055F0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x0000020807515880, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x0000020807516D20, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x00000208075169C0, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x0000020807515F40, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x0000020805705580, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x00000208074DEFA0, 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) : {3835521} normal block at 0x00000208056FDF30, 8 bytes long.
 Data: <  &#219;     > 00 00 DB 05 08 02 00 00 
{3834715} normal block at 0x00000208074DECE0, 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 0x00000208056FDC60, 8 bytes long.
 Data: < &#229;=     > 00 E5 3D 07 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020805701D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000208056F6BE0, 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 0x0000020805706600, 16 bytes long.
 Data: <8op             > 38 6F 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020805706970, 16 bytes long.
 Data: < op             > 10 6F 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020805700440, 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 0x0000020805706920, 16 bytes long.
 Data: <&#232;np             > E8 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000208057066F0, 16 bytes long.
 Data: <&#192;np             > C0 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000208057065B0, 16 bytes long.
 Data: < np             > 98 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020805706BA0, 16 bytes long.
 Data: <pnp             > 70 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020805705350, 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 0x0000020805706510, 16 bytes long.
 Data: <&#200;&#148;o             > C8 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020805700380, 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 0x00000208057064C0, 16 bytes long.
 Data: <&#160;&#148;o             > A0 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020805706010, 16 bytes long.
 Data: <x&#148;o             > 78 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000208057062E0, 16 bytes long.
 Data: <P&#148;o             > 50 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020805706830, 16 bytes long.
 Data: <(&#148;o             > 28 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020805706880, 16 bytes long.
 Data: < &#148;o             > 00 94 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000208057068D0, 16 bytes long.
 Data: <&#216;&#147;o             > D8 93 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000208056FF6C0, 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 0x0000020805706560, 16 bytes long.
 Data: <&#176;&#147;o             > B0 93 6F 05 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000208056F93B0, 320 bytes long.
 Data: <`ep     &#192;&#246;o     > 60 65 70 05 08 02 00 00 C0 F6 6F 05 08 02 00 00 
{276} normal block at 0x0000020805705F20, 16 bytes long.
 Data: <Pnp             > 50 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000208057060B0, 16 bytes long.
 Data: <(np             > 28 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000208056FFC60, 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 0x0000020805705D40, 16 bytes long.
 Data: < np             > 00 6E 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020805700320, 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 0x0000020805706470, 16 bytes long.
 Data: <Hmp             > 48 6D 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020805705CF0, 16 bytes long.
 Data: < mp             > 20 6D 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020805706B00, 16 bytes long.
 Data: <&#248;lp             > F8 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020805705E30, 16 bytes long.
 Data: <&#208;lp             > D0 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000208057061F0, 16 bytes long.
 Data: <&#168;lp             > A8 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020805706060, 16 bytes long.
 Data: < lp             > 80 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000208057067E0, 16 bytes long.
 Data: <&#208;Vp             > D0 56 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000208057056D0, 40 bytes long.
 Data: <&#224;gp      Up     > E0 67 70 05 08 02 00 00 80 55 70 05 08 02 00 00 
{262} normal block at 0x0000020805706A10, 16 bytes long.
 Data: <`lp             > 60 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020805706650, 16 bytes long.
 Data: <8lp             > 38 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000208056FF9C0, 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 0x0000020805706B50, 16 bytes long.
 Data: < lp             > 10 6C 70 05 08 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020805706C10, 992 bytes long.
 Data: <Pkp     &#192;&#249;o     > 50 6B 70 05 08 02 00 00 C0 F9 6F 05 08 02 00 00 
{94} normal block at 0x00000208056FFA20, 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 0x00000208056FE3E0, 16 bytes long.
 Data: < &#247;n             > 10 F7 6E 05 08 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000208056EF710, 40 bytes long.
 Data: <&#224;&#227;o      &#250;o     > E0 E3 6F 05 08 02 00 00 20 FA 6F 05 08 02 00 00 
{71} normal block at 0x00000208056FD620, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000208056FE340, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000208056FD6C0, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000208056FDFD0, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000208056FDE90, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000208056FD670, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000208056FDE40, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000208056FD8A0, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000208056FD990, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000208056FE430, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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