Task 38668615

Name test_556-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0069_1
Workunit 31611069
Created 25 Oct 2026, 12:15:24 UTC
Sent 25 Oct 2026, 12:15:29 UTC
Report deadline 30 Oct 2026, 12:15:29 UTC
Received 25 Oct 2026, 12:50:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 33 min 57 sec
CPU time 33 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.97 MB
Peak swap size 12.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:16:31 (22708): wrapper (7.9.26016): starting
07:16:31 (22708): 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
07:16:32 (22708): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:16:32 (22708): 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\33\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\33\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
07:49:38 (22708): C:/Windows/system32/cmd.exe exited; CPU time 2035.281250
07:49:38 (22708): 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: 31991167 bytes.
Dumping objects ->
{3835543} normal block at 0x000002155861F220, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000002155861EDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x00000215568464D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x00000215568465B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000021556846540, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x000002155866D8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000021558680EE0, 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) : {3835454} normal block at 0x0000021556840DF0, 8 bytes long.
 Data: <  &#237;V    > 00 00 ED 56 15 02 00 00 
{3834676} normal block at 0x0000021558680800, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x00000215568408F0, 8 bytes long.
 Data: <&#160;&#216;WX    > A0 D8 57 58 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000021556839FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021556835A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000021556847BF0, 16 bytes long.
 Data: <&#232; &#132;V            > E8 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000215568485F0, 16 bytes long.
 Data: <&#192; &#132;V            > C0 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021556843BC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000021556847DD0, 16 bytes long.
 Data: <  &#132;V            > 98 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021556848050, 16 bytes long.
 Data: <p &#132;V            > 70 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000215568481E0, 16 bytes long.
 Data: <H &#132;V            > 48 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021556848000, 16 bytes long.
 Data: <  &#132;V            > 20 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021556845F90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000021556848690, 16 bytes long.
 Data: < A&#131;V            > 88 41 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021556844700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000021556848410, 16 bytes long.
 Data: <`A&#131;V            > 60 41 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021556848500, 16 bytes long.
 Data: <8A&#131;V            > 38 41 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000215568488C0, 16 bytes long.
 Data: < A&#131;V            > 10 41 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215568484B0, 16 bytes long.
 Data: <&#232;@&#131;V            > E8 40 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021556848730, 16 bytes long.
 Data: <&#192;@&#131;V            > C0 40 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021556847EC0, 16 bytes long.
 Data: < @&#131;V            > 98 40 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021556843DA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000021556847E70, 16 bytes long.
 Data: <p@&#131;V            > 70 40 83 56 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021556834070, 320 bytes long.
 Data: <p~&#132;V    &#160;=&#132;V    > 70 7E 84 56 15 02 00 00 A0 3D 84 56 15 02 00 00 
{266} normal block at 0x0000021556848A50, 16 bytes long.
 Data: <  &#132;V            > 00 8D 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021556847FB0, 16 bytes long.
 Data: <&#216;&#140;&#132;V            > D8 8C 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000215568439E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000021556847CE0, 16 bytes long.
 Data: <&#176;&#140;&#132;V            > B0 8C 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000215568440A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000215568485A0, 16 bytes long.
 Data: <&#248;&#139;&#132;V            > F8 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021556848960, 16 bytes long.
 Data: <&#208;&#139;&#132;V            > D0 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021556848190, 16 bytes long.
 Data: <&#168;&#139;&#132;V            > A8 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021556848550, 16 bytes long.
 Data: < &#139;&#132;V            > 80 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021556848140, 16 bytes long.
 Data: <X&#139;&#132;V            > 58 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021556848870, 16 bytes long.
 Data: <0&#139;&#132;V            > 30 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021556847D80, 16 bytes long.
 Data: <`d&#132;V            > 60 64 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021556846460, 40 bytes long.
 Data: < }&#132;V    &#176;&#216;fX    > 80 7D 84 56 15 02 00 00 B0 D8 66 58 15 02 00 00 
{252} normal block at 0x00000215568480F0, 16 bytes long.
 Data: < &#139;&#132;V            > 10 8B 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021556848A00, 16 bytes long.
 Data: <&#232;&#138;&#132;V            > E8 8A 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021556843CE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000021556847D30, 16 bytes long.
 Data: <&#192;&#138;&#132;V            > C0 8A 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000021556848AC0, 992 bytes long.
 Data: <0}&#132;V    &#224;<&#132;V    > 30 7D 84 56 15 02 00 00 E0 3C 84 56 15 02 00 00 
{84} normal block at 0x0000021556843F80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000021556841750, 16 bytes long.
 Data: <&#176;^&#132;V            > B0 5E 84 56 15 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000021556845EB0, 40 bytes long.
 Data: <P &#132;V     ?&#132;V    > 50 17 84 56 15 02 00 00 80 3F 84 56 15 02 00 00 
{61} normal block at 0x0000021556840B20, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000215568416B0, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021556841660, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021556840A80, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021556840D00, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000215568408A0, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021556840B70, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021556840BC0, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000215568417F0, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000215568417A0, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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