Task 38661072

Name test_941-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2036_0
Workunit 31604519
Created 24 Oct 2026, 15:10:29 UTC
Sent 24 Oct 2026, 15:17:25 UTC
Report deadline 29 Oct 2026, 15:17:25 UTC
Received 24 Oct 2026, 16:04:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 43 min 6 sec
CPU time 33 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.56 MB
Peak swap size 3.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:55 (4500): wrapper (7.9.26016): starting
16:23:55 (4500): 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
16:24:00 (4500): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:24:00 (4500): 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
17:04:27 (4500): C:/Windows/system32/cmd.exe exited; CPU time 2017.359375
17:04:27 (4500): 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: 67285303 bytes.
Dumping objects ->
{3835267} normal block at 0x000001701123E8B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001701123EDF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001701123F090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x000001701123EFB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001701123F2C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000017012E83C90, 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) : {3835179} normal block at 0x0000017012E360D0, 8 bytes long.
 Data: <  Q p   > 00 00 51 11 70 01 00 00 
{3833969} normal block at 0x0000017012E35860, 8 bytes long.
 Data: < F&#237; p   > 80 46 ED 12 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001701120CE30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017011206880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000017011219920, 16 bytes long.
 Data: <(&#197;! p           > 28 C5 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017011219510, 16 bytes long.
 Data: < &#197;! p           > 00 C5 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017011214B10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000170112194C0, 16 bytes long.
 Data: <&#216;&#196;! p           > D8 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017011219150, 16 bytes long.
 Data: <&#176;&#196;! p           > B0 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000170112193D0, 16 bytes long.
 Data: < &#196;! p           > 88 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017011219880, 16 bytes long.
 Data: <`&#196;! p           > 60 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017011217340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000017011218DE0, 16 bytes long.
 Data: <8&#191;! p           > 38 BF 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017011215110, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000017011219380, 16 bytes long.
 Data: < &#191;! p           > 10 BF 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017011219330, 16 bytes long.
 Data: <&#232;&#190;! p           > E8 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017011219D30, 16 bytes long.
 Data: <&#192;&#190;! p           > C0 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017011219BA0, 16 bytes long.
 Data: < &#190;! p           > 98 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000170112192E0, 16 bytes long.
 Data: <p&#190;! p           > 70 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017011219290, 16 bytes long.
 Data: <H&#190;! p           > 48 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170112150B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000017011219740, 16 bytes long.
 Data: < &#190;! p           > 20 BE 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001701121BE20, 320 bytes long.
 Data: <@&#151;! p   &#176;P! p   > 40 97 21 11 70 01 00 00 B0 50 21 11 70 01 00 00 
{280} normal block at 0x00000170112197E0, 16 bytes long.
 Data: <@&#196;! p           > 40 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000170112196F0, 16 bytes long.
 Data: < &#196;! p           > 18 C4 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017011215050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000017011218E30, 16 bytes long.
 Data: <&#240;&#195;! p           > F0 C3 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017011214B70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000017011219CE0, 16 bytes long.
 Data: <8&#195;! p           > 38 C3 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000170112199C0, 16 bytes long.
 Data: < &#195;! p           > 10 C3 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017011219C90, 16 bytes long.
 Data: <&#232;&#194;! p           > E8 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017011219240, 16 bytes long.
 Data: <&#192;&#194;! p           > C0 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000170112191F0, 16 bytes long.
 Data: < &#194;! p           > 98 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017011219B50, 16 bytes long.
 Data: <p&#194;! p           > 70 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017011219100, 16 bytes long.
 Data: <pn! p           > 70 6E 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017011216E70, 40 bytes long.
 Data: < &#145;! p    <&#232; p   > 00 91 21 11 70 01 00 00 90 3C E8 12 70 01 00 00 
{266} normal block at 0x00000170112196A0, 16 bytes long.
 Data: <P&#194;! p           > 50 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017011219AB0, 16 bytes long.
 Data: <(&#194;! p           > 28 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017011214F90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000017011219C40, 16 bytes long.
 Data: < &#194;! p           > 00 C2 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001701121C200, 992 bytes long.
 Data: <@&#156;! p    O! p   > 40 9C 21 11 70 01 00 00 90 4F 21 11 70 01 00 00 
{98} normal block at 0x0000017011214ED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000017011218F20, 16 bytes long.
 Data: <&#208;r! p           > D0 72 21 11 70 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000170112172D0, 40 bytes long.
 Data: <  ! p   &#208;N! p   > 20 8F 21 11 70 01 00 00 D0 4E 21 11 70 01 00 00 
{75} normal block at 0x0000017011218F70, 16 bytes long.
 Data: < &#234;&#181;&#138;&#246;           > 80 EA B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001701120DFD0, 16 bytes long.
 Data: <@&#233;&#181;&#138;&#246;           > 40 E9 B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001701120DF80, 16 bytes long.
 Data: <&#248;W&#178;&#138;&#246;           > F8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001701120D940, 16 bytes long.
 Data: <&#216;W&#178;&#138;&#246;           > D8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001701120DEE0, 16 bytes long.
 Data: <P &#178;&#138;&#246;           > 50 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001701120D8F0, 16 bytes long.
 Data: <0 &#178;&#138;&#246;           > 30 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001701120D8A0, 16 bytes long.
 Data: <&#224; &#178;&#138;&#246;           > E0 02 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001701120D850, 16 bytes long.
 Data: <  &#178;&#138;&#246;           > 10 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001701120DDF0, 16 bytes long.
 Data: <p &#178;&#138;&#246;           > 70 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001701120D800, 16 bytes long.
 Data: < &#192;&#176;&#138;&#246;           > 18 C0 B0 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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