Task 38679655

Name test_502-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4577_0
Workunit 31621422
Created 26 Oct 2026, 21:17:20 UTC
Sent 26 Oct 2026, 21:17:24 UTC
Report deadline 31 Oct 2026, 21:17:24 UTC
Received 26 Oct 2026, 22:35:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 22 min 53 sec
CPU time 21 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 773.52 MB
Peak swap size 10.02 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:13:21 (20256): wrapper (7.9.26016): starting
00:13:21 (20256): 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
00:13:22 (20256): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:13:22 (20256): 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: Exiting with failure status due to previous errors
00:35:28 (20256): C:/Windows/system32/cmd.exe exited; CPU time 1269.218750
00:35:28 (20256): 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: 20627973 bytes.
Dumping objects ->
{3835317} normal block at 0x00000260912152B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x0000026091215240, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000260912150F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x0000026091215080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000026091214E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x0000026092FD8F10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000026092FF13A0, 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) : {3835228} normal block at 0x000002609120FB80, 8 bytes long.
 Data: <  d&#145;`   > 00 00 64 91 60 02 00 00 
{3834592} normal block at 0x0000026092FF08A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002609120F680, 8 bytes long.
 Data: <p&#232;.&#145;`   > 70 E8 2E 91 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000260912118A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000260911FFFF0, 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 0x0000026091215C30, 16 bytes long.
 Data: < j!&#145;`           > 88 6A 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000260912157D0, 16 bytes long.
 Data: <`j!&#145;`           > 60 6A 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002609120D3B0, 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 0x0000026091216130, 16 bytes long.
 Data: <8j!&#145;`           > 38 6A 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026091215780, 16 bytes long.
 Data: < j!&#145;`           > 10 6A 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026091215CD0, 16 bytes long.
 Data: <&#232;i!&#145;`           > E8 69 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026091215AF0, 16 bytes long.
 Data: <&#192;i!&#145;`           > C0 69 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026091215160, 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 0x0000026091215AA0, 16 bytes long.
 Data: <   &#145;`           > 18 90 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002609120D1D0, 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 0x0000026091215E10, 16 bytes long.
 Data: <&#240;&#143; &#145;`           > F0 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000260912164A0, 16 bytes long.
 Data: <&#200;&#143; &#145;`           > C8 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026091216220, 16 bytes long.
 Data: <&#160;&#143; &#145;`           > A0 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026091215A50, 16 bytes long.
 Data: <x&#143; &#145;`           > 78 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026091216180, 16 bytes long.
 Data: <P&#143; &#145;`           > 50 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026091215A00, 16 bytes long.
 Data: <(&#143; &#145;`           > 28 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002609120D8F0, 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 0x0000026091216450, 16 bytes long.
 Data: < &#143; &#145;`           > 00 8F 20 91 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026091208F00, 320 bytes long.
 Data: <Pd!&#145;`   &#240;&#216; &#145;`   > 50 64 21 91 60 02 00 00 F0 D8 20 91 60 02 00 00 
{280} normal block at 0x00000260912159B0, 16 bytes long.
 Data: <&#160;i!&#145;`           > A0 69 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026091216400, 16 bytes long.
 Data: <xi!&#145;`           > 78 69 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002609120D950, 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 0x0000026091215FA0, 16 bytes long.
 Data: <Pi!&#145;`           > 50 69 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002609120E070, 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 0x0000026091216270, 16 bytes long.
 Data: < h!&#145;`           > 98 68 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000260912161D0, 16 bytes long.
 Data: <ph!&#145;`           > 70 68 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000260912160E0, 16 bytes long.
 Data: <Hh!&#145;`           > 48 68 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000260912163B0, 16 bytes long.
 Data: < h!&#145;`           > 20 68 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026091216360, 16 bytes long.
 Data: <&#248;g!&#145;`           > F8 67 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026091215910, 16 bytes long.
 Data: <&#208;g!&#145;`           > D0 67 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026091216090, 16 bytes long.
 Data: <&#224;T!&#145;`           > E0 54 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000260912154E0, 40 bytes long.
 Data: < `!&#145;`    &#143;&#253;&#146;`   > 90 60 21 91 60 02 00 00 10 8F FD 92 60 02 00 00 
{266} normal block at 0x0000026091216310, 16 bytes long.
 Data: <&#176;g!&#145;`           > B0 67 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000260912162C0, 16 bytes long.
 Data: < g!&#145;`           > 88 67 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002609120DD10, 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 0x0000026091216040, 16 bytes long.
 Data: <`g!&#145;`           > 60 67 21 91 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026091216760, 992 bytes long.
 Data: <@`!&#145;`    &#221; &#145;`   > 40 60 21 91 60 02 00 00 10 DD 20 91 60 02 00 00 
{98} normal block at 0x000002609120DEF0, 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 0x000002609120FC70, 16 bytes long.
 Data: <`&#247; &#145;`           > 60 F7 1F 91 60 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000260911FF760, 40 bytes long.
 Data: <p&#252; &#145;`   &#240;&#222; &#145;`   > 70 FC 20 91 60 02 00 00 F0 DE 20 91 60 02 00 00 
{75} normal block at 0x000002609120F950, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002609120FE50, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002609120F310, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002609120FEF0, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002609120FA40, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002609120F4A0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002609120F450, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002609120F540, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002609120F180, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002609120F0E0, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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