Task 38696918

Name test_94-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4104_0
Workunit 31637531
Created 1 Nov 2026, 6:26:56 UTC
Sent 1 Nov 2026, 6:26:58 UTC
Report deadline 6 Nov 2026, 6:26:58 UTC
Received 1 Nov 2026, 7:24:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550371
Run time 46 min 15 sec
CPU time 44 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.08 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:38:40 (38520): wrapper (7.9.26016): starting
01:38:40 (38520): 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
01:38:41 (38520): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:38:41 (38520): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
02:23:22 (38520): C:/Windows/system32/cmd.exe exited; CPU time 2697.515625
02:23:22 (38520): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 57265409 bytes.
Dumping objects ->
{3835311} normal block at 0x0000021625324050, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x0000021625324670, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000216253240C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000021625324360, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000021623545010, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x00000216252C8F40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002162359DAE0, 139 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 0x000002162353D530, 8 bytes long.
 Data: <  Q#    > 00 00 51 23 16 02 00 00 
{3834594} normal block at 0x000002162359E230, 139 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000002162353DEE0, 8 bytes long.
 Data: <@ET#    > 40 45 54 23 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000021623541A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000021623536970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000021623545B90, 16 bytes long.
 Data: <&#248;kT#            > F8 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021623546130, 16 bytes long.
 Data: <&#208;kT#            > D0 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002162353F690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000021623545E60, 16 bytes long.
 Data: <&#168;kT#            > A8 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000216235461D0, 16 bytes long.
 Data: < kT#            > 80 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021623546860, 16 bytes long.
 Data: <XkT#            > 58 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021623545A00, 16 bytes long.
 Data: <0kT#            > 30 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021623544C20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000021623545AF0, 16 bytes long.
 Data: <&#168;WT#            > A8 57 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002162353FDB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000021623545B40, 16 bytes long.
 Data: < WT#            > 80 57 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021623546810, 16 bytes long.
 Data: <XWT#            > 58 57 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021623546040, 16 bytes long.
 Data: <0WT#            > 30 57 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000216235465E0, 16 bytes long.
 Data: < WT#            > 08 57 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021623545CD0, 16 bytes long.
 Data: <&#224;VT#            > E0 56 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000216235467C0, 16 bytes long.
 Data: <&#184;VT#            > B8 56 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002162353F8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000021623546720, 16 bytes long.
 Data: < VT#            > 90 56 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021623545690, 320 bytes long.
 Data: < gT#    &#208;&#248;S#    > 20 67 54 23 16 02 00 00 D0 F8 53 23 16 02 00 00 
{283} normal block at 0x00000216235459B0, 16 bytes long.
 Data: < kT#            > 10 6B 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021623545C30, 16 bytes long.
 Data: <&#232;jT#            > E8 6A 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002162353F810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000021623546680, 16 bytes long.
 Data: <&#192;jT#            > C0 6A 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002162353F030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000021623546450, 16 bytes long.
 Data: < jT#            > 08 6A 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021623545FF0, 16 bytes long.
 Data: <&#224;iT#            > E0 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021623545960, 16 bytes long.
 Data: <&#184;iT#            > B8 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000216235464F0, 16 bytes long.
 Data: < iT#            > 90 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021623546630, 16 bytes long.
 Data: <hiT#            > 68 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021623545910, 16 bytes long.
 Data: <@iT#            > 40 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021623545D20, 16 bytes long.
 Data: < PT#            > 80 50 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021623545080, 40 bytes long.
 Data: < ]T#    @ ,%    > 20 5D 54 23 16 02 00 00 40 8F 2C 25 16 02 00 00 
{269} normal block at 0x0000021623545AA0, 16 bytes long.
 Data: < iT#            > 20 69 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021623545E10, 16 bytes long.
 Data: <&#248;hT#            > F8 68 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002162353FBD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x00000216235463B0, 16 bytes long.
 Data: <&#208;hT#            > D0 68 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000216235468D0, 992 bytes long.
 Data: <&#176;cT#    &#208;&#251;S#    > B0 63 54 23 16 02 00 00 D0 FB 53 23 16 02 00 00 
{101} normal block at 0x000002162353FB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000002162353D620, 16 bytes long.
 Data: <0OT#            > 30 4F 54 23 16 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000021623544F30, 40 bytes long.
 Data: < &#214;S#     &#251;S#    > 20 D6 53 23 16 02 00 00 10 FB 53 23 16 02 00 00 
{78} normal block at 0x000002162353D800, 16 bytes long.
 Data: < &#234;&#245;x&#246;           > 80 EA F5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002162353E070, 16 bytes long.
 Data: <@&#233;&#245;x&#246;           > 40 E9 F5 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002162353D490, 16 bytes long.
 Data: <&#248;W&#242;x&#246;           > F8 57 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002162353D440, 16 bytes long.
 Data: <&#216;W&#242;x&#246;           > D8 57 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002162353DFD0, 16 bytes long.
 Data: <P &#242;x&#246;           > 50 04 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002162353D3F0, 16 bytes long.
 Data: <0 &#242;x&#246;           > 30 04 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002162353DDF0, 16 bytes long.
 Data: <&#224; &#242;x&#246;           > E0 02 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002162353DF30, 16 bytes long.
 Data: <  &#242;x&#246;           > 10 04 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002162353D990, 16 bytes long.
 Data: <p &#242;x&#246;           > 70 04 F2 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002162353D7B0, 16 bytes long.
 Data: < &#192;&#240;x&#246;           > 18 C0 F0 78 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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