Task 38683982

Name test_330-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7725_0
Workunit 31625514
Created 27 Oct 2026, 14:11:57 UTC
Sent 27 Oct 2026, 14:12:03 UTC
Report deadline 1 Nov 2026, 14:12:03 UTC
Received 27 Oct 2026, 14:38:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 48 sec
CPU time 23 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.52 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:15:11 (7492): wrapper (7.9.26016): starting
15:15:11 (7492): 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
15:15:12 (7492): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:15:12 (7492): 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\6\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\6\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
15:38:19 (7492): C:/Windows/system32/cmd.exe exited; CPU time 1394.406250
15:38:19 (7492): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23792401 bytes.
Dumping objects ->
{3835329} normal block at 0x0000014DA8EC6F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x0000014DA8EC70C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000014DA8EC7130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x0000014DA8EC6AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000014DA8EC6E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x0000014DA8ECF490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000014DA72BE8A0, 140 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) : {3835240} normal block at 0x0000014DA725F010, 8 bytes long.
 Data: <   &#167;M   > 00 00 1E A7 4D 01 00 00 
{3834594} normal block at 0x0000014DA72BEA40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000014DA725EA20, 8 bytes long.
 Data: <pf&#247;&#168;M   > 70 66 F7 A8 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000014DA7262E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000014DA72511D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000014DA72677F0, 16 bytes long.
 Data: <&#168;~&&#167;M           > A8 7E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014DA7266EE0, 16 bytes long.
 Data: < ~&&#167;M           > 80 7E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014DA7260FF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000014DA7266CB0, 16 bytes long.
 Data: <X~&&#167;M           > 58 7E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014DA72670C0, 16 bytes long.
 Data: <0~&&#167;M           > 30 7E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014DA7266E40, 16 bytes long.
 Data: < ~&&#167;M           > 08 7E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014DA7266DF0, 16 bytes long.
 Data: <&#224;}&&#167;M           > E0 7D 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014DA7264ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000014DA72675C0, 16 bytes long.
 Data: <xg&&#167;M           > 78 67 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014DA72605D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000014DA72679D0, 16 bytes long.
 Data: <Pg&&#167;M           > 50 67 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014DA7267750, 16 bytes long.
 Data: <(g&&#167;M           > 28 67 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014DA7267570, 16 bytes long.
 Data: < g&&#167;M           > 00 67 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014DA7267980, 16 bytes long.
 Data: <&#216;f&&#167;M           > D8 66 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014DA7267520, 16 bytes long.
 Data: <&#176;f&&#167;M           > B0 66 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014DA7267070, 16 bytes long.
 Data: < f&&#167;M           > 88 66 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014DA72603F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000014DA7267480, 16 bytes long.
 Data: <`f&&#167;M           > 60 66 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014DA7266660, 320 bytes long.
 Data: < t&&#167;M   &#240; &&#167;M   > 80 74 26 A7 4D 01 00 00 F0 03 26 A7 4D 01 00 00 
{279} normal block at 0x0000014DA7266C60, 16 bytes long.
 Data: <&#192;}&&#167;M           > C0 7D 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014DA7267A70, 16 bytes long.
 Data: < }&&#167;M           > 98 7D 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014DA7260390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000014DA7267020, 16 bytes long.
 Data: <p}&&#167;M           > 70 7D 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014DA7260510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000014DA7267430, 16 bytes long.
 Data: <&#184;|&&#167;M           > B8 7C 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014DA72672F0, 16 bytes long.
 Data: < |&&#167;M           > 90 7C 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014DA7266D50, 16 bytes long.
 Data: <h|&&#167;M           > 68 7C 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014DA72678E0, 16 bytes long.
 Data: <@|&&#167;M           > 40 7C 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014DA7267890, 16 bytes long.
 Data: < |&&#167;M           > 18 7C 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014DA7267840, 16 bytes long.
 Data: <&#240;{&&#167;M           > F0 7B 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014DA7266C10, 16 bytes long.
 Data: <`N&&#167;M           > 60 4E 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014DA7264E60, 40 bytes long.
 Data: < l&&#167;M    &#244;&#236;&#168;M   > 10 6C 26 A7 4D 01 00 00 90 F4 EC A8 4D 01 00 00 
{265} normal block at 0x0000014DA7267200, 16 bytes long.
 Data: <&#208;{&&#167;M           > D0 7B 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014DA7266E90, 16 bytes long.
 Data: <&#168;{&&#167;M           > A8 7B 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014DA7260B70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000014DA72674D0, 16 bytes long.
 Data: < {&&#167;M           > 80 7B 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014DA7267B80, 992 bytes long.
 Data: <&#208;t&&#167;M   p &&#167;M   > D0 74 26 A7 4D 01 00 00 70 0B 26 A7 4D 01 00 00 
{97} normal block at 0x0000014DA7260330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000014DA725EED0, 16 bytes long.
 Data: <`U&&#167;M           > 60 55 26 A7 4D 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000014DA7265560, 40 bytes long.
 Data: <&#208;&#238;%&#167;M   0 &&#167;M   > D0 EE 25 A7 4D 01 00 00 30 03 26 A7 4D 01 00 00 
{74} normal block at 0x0000014DA725F650, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000014DA725F790, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000014DA725F4C0, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000014DA725F290, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014DA725F600, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014DA725F240, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014DA725EDE0, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014DA725E9D0, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014DA725F1A0, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014DA725F8D0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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