Task 38686689

Name test_222-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9974_0
Workunit 31628111
Created 28 Oct 2026, 3:53:38 UTC
Sent 28 Oct 2026, 3:53:47 UTC
Report deadline 2 Nov 2026, 3:53:47 UTC
Received 28 Oct 2026, 5:22:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627736
Run time 1 hours 22 min 15 sec
CPU time 1 hours 20 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.88 MB
Peak swap size 9.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:00:36 (21832): wrapper (7.9.26016): starting
23:00:36 (21832): 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
23:00:38 (21832): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:00:38 (21832): 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
00:21:52 (21832): C:/Windows/system32/cmd.exe exited; CPU time 4856.281250
00:21:52 (21832): 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: 94133091 bytes.
Dumping objects ->
{3835186} normal block at 0x0000020575AEC260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000020573EB4690, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x0000020573EB4620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x0000020573EB44D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000020573EB4460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x0000020575B3ADA0, 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) : {3835098} normal block at 0x0000020573EAEBC0, 8 bytes long.
 Data: <  7t    > 00 00 37 74 05 02 00 00 
{3833959} normal block at 0x0000020573EAEDF0, 8 bytes long.
 Data: <&#208;;&#185;u    > D0 3B B9 75 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020573EB0BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020573EA5C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020573EB5F00, 16 bytes long.
 Data: <(d&#235;s            > 28 64 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020573EB5C30, 16 bytes long.
 Data: < d&#235;s            > 00 64 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020573EAFD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020573EB5140, 16 bytes long.
 Data: <&#216;c&#235;s            > D8 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020573EB5690, 16 bytes long.
 Data: <&#176;c&#235;s            > B0 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020573EB5F50, 16 bytes long.
 Data: < c&#235;s            > 88 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020573EB5410, 16 bytes long.
 Data: <`c&#235;s            > 60 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020573EB49A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020573EB5EB0, 16 bytes long.
 Data: <&#248; &#234;s            > F8 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020573EB0110, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020573EB5FF0, 16 bytes long.
 Data: <&#208; &#234;s            > D0 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020573EB5E60, 16 bytes long.
 Data: <&#168; &#234;s            > A8 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020573EB5500, 16 bytes long.
 Data: <  &#234;s            > 80 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020573EB55F0, 16 bytes long.
 Data: <X &#234;s            > 58 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020573EB5E10, 16 bytes long.
 Data: <0 &#234;s            > 30 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020573EB5DC0, 16 bytes long.
 Data: <  &#234;s            > 08 8D EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020573EAF870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020573EB5550, 16 bytes long.
 Data: <&#224;&#140;&#234;s            > E0 8C EA 73 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020573EA8CE0, 320 bytes long.
 Data: <PU&#235;s    p&#248;&#234;s    > 50 55 EB 73 05 02 00 00 70 F8 EA 73 05 02 00 00 
{275} normal block at 0x0000020573EB5BE0, 16 bytes long.
 Data: <@c&#235;s            > 40 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020573EB5640, 16 bytes long.
 Data: < c&#235;s            > 18 63 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020573EB0230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020573EB5AF0, 16 bytes long.
 Data: <&#240;b&#235;s            > F0 62 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020573EAFCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020573EB55A0, 16 bytes long.
 Data: <8b&#235;s            > 38 62 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020573EB5D70, 16 bytes long.
 Data: < b&#235;s            > 10 62 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020573EB54B0, 16 bytes long.
 Data: <&#232;a&#235;s            > E8 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020573EB5AA0, 16 bytes long.
 Data: <&#192;a&#235;s            > C0 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020573EB5A50, 16 bytes long.
 Data: < a&#235;s            > 98 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020573EB5280, 16 bytes long.
 Data: <pa&#235;s            > 70 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020573EB5A00, 16 bytes long.
 Data: <pG&#235;s            > 70 47 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020573EB4770, 40 bytes long.
 Data: < Z&#235;s    &#160;&#173;&#179;u    > 00 5A EB 73 05 02 00 00 A0 AD B3 75 05 02 00 00 
{261} normal block at 0x0000020573EB5B90, 16 bytes long.
 Data: <Pa&#235;s            > 50 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020573EB59B0, 16 bytes long.
 Data: <(a&#235;s            > 28 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020573EAFAB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020573EB5FA0, 16 bytes long.
 Data: < a&#235;s            > 00 61 EB 73 05 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020573EB6100, 992 bytes long.
 Data: <&#160;_&#235;s    &#176;&#250;&#234;s    > A0 5F EB 73 05 02 00 00 B0 FA EA 73 05 02 00 00 
{93} normal block at 0x0000020573EAF930, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020573EAEB70, 16 bytes long.
 Data: <&#192;&#227;&#233;s            > C0 E3 E9 73 05 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020573E9E3C0, 40 bytes long.
 Data: <p&#235;&#234;s    0&#249;&#234;s    > 70 EB EA 73 05 02 00 00 30 F9 EA 73 05 02 00 00 
{70} normal block at 0x0000020573EAEB20, 16 bytes long.
 Data: < &#234;&#236;&#151;&#246;           > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020573EAE990, 16 bytes long.
 Data: <@&#233;&#236;&#151;&#246;           > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020573EAEC10, 16 bytes long.
 Data: <&#248;W&#233;&#151;&#246;           > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020573EAF160, 16 bytes long.
 Data: <&#216;W&#233;&#151;&#246;           > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020573EAEAD0, 16 bytes long.
 Data: <P &#233;&#151;&#246;           > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020573EAF110, 16 bytes long.
 Data: <0 &#233;&#151;&#246;           > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020573EAE8A0, 16 bytes long.
 Data: <&#224; &#233;&#151;&#246;           > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020573EAF340, 16 bytes long.
 Data: <  &#233;&#151;&#246;           > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020573EAED50, 16 bytes long.
 Data: <p &#233;&#151;&#246;           > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020573EAE7B0, 16 bytes long.
 Data: < &#192;&#231;&#151;&#246;           > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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