Task 38697493

Name test_983-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7478_0
Workunit 31638062
Created 1 Nov 2026, 15:43:37 UTC
Sent 1 Nov 2026, 15:43:46 UTC
Report deadline 6 Nov 2026, 15:43:46 UTC
Received 1 Nov 2026, 16:42:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652158
Run time 50 min 19 sec
CPU time 45 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.45 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:52:50 (8352): wrapper (7.9.26016): starting
16:52:50 (8352): 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
16:52:54 (8352): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:52:54 (8352): 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\4\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\4\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
17:41:47 (8352): C:/Windows/system32/cmd.exe exited; CPU time 2737.343750
17:41:47 (8352): called boinc_finish(0)
0 bytes in 0 Free Blocks.
778 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: 38544052 bytes.
Dumping objects ->
{3835392} normal block at 0x000002344C33D0D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835381} normal block at 0x000002344C33CFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835370} normal block at 0x000002344C33CAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835359} normal block at 0x000002344A6C46A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000002344A6C4630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835317} normal block at 0x000002344C389AD0, 64 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 0x000002344C3D9750, 261 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) : {3835303} normal block at 0x000002344A6BDB00, 8 bytes long.
 Data: <  &#194;J4   > 00 00 C2 4A 34 02 00 00 
{3834637} normal block at 0x000002344C3D98A0, 261 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002344A6BD970, 8 bytes long.
 Data: < YAL4   > 10 59 41 4C 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002344A6C0D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002344A6AF330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002344A6C51C0, 16 bytes long.
 Data: <&#168;dlJ4           > A8 64 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002344A6C5990, 16 bytes long.
 Data: < dlJ4           > 80 64 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002344A6BF190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002344A6C58F0, 16 bytes long.
 Data: <XdlJ4           > 58 64 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002344A6C60C0, 16 bytes long.
 Data: <0dlJ4           > 30 64 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002344A6C58A0, 16 bytes long.
 Data: < dlJ4           > 08 64 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002344A6C5850, 16 bytes long.
 Data: <&#224;clJ4           > E0 63 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002344A6C49B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002344A6C5A30, 16 bytes long.
 Data: < &#139;kJ4           > 88 8B 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002344A6BED70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002344A6C57B0, 16 bytes long.
 Data: <`&#139;kJ4           > 60 8B 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002344A6C55D0, 16 bytes long.
 Data: <8&#139;kJ4           > 38 8B 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002344A6C5490, 16 bytes long.
 Data: < &#139;kJ4           > 10 8B 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002344A6C6110, 16 bytes long.
 Data: <&#232;&#138;kJ4           > E8 8A 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002344A6C5B70, 16 bytes long.
 Data: <&#192;&#138;kJ4           > C0 8A 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002344A6C53A0, 16 bytes long.
 Data: < &#138;kJ4           > 98 8A 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002344A6BEDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002344A6C5580, 16 bytes long.
 Data: <p&#138;kJ4           > 70 8A 6B 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002344A6B8A70, 320 bytes long.
 Data: < UlJ4   &#208;&#237;kJ4   > 80 55 6C 4A 34 02 00 00 D0 ED 6B 4A 34 02 00 00 
{278} normal block at 0x000002344A6C5940, 16 bytes long.
 Data: <&#192;clJ4           > C0 63 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002344A6C56C0, 16 bytes long.
 Data: < clJ4           > 98 63 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002344A6BEFB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002344A6C5800, 16 bytes long.
 Data: <pclJ4           > 70 63 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002344A6BF310, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002344A6C5B20, 16 bytes long.
 Data: <&#184;blJ4           > B8 62 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002344A6C5BC0, 16 bytes long.
 Data: < blJ4           > 90 62 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002344A6C5530, 16 bytes long.
 Data: <hblJ4           > 68 62 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002344A6C52B0, 16 bytes long.
 Data: <@blJ4           > 40 62 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002344A6C5440, 16 bytes long.
 Data: < blJ4           > 18 62 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002344A6C5EE0, 16 bytes long.
 Data: <&#240;alJ4           > F0 61 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002344A6C5760, 16 bytes long.
 Data: <&#240;GlJ4           > F0 47 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002344A6C47F0, 40 bytes long.
 Data: <`WlJ4   &#208;&#154;8L4   > 60 57 6C 4A 34 02 00 00 D0 9A 38 4C 34 02 00 00 
{264} normal block at 0x000002344A6C5F80, 16 bytes long.
 Data: <&#208;alJ4           > D0 61 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002344A6C5620, 16 bytes long.
 Data: <&#168;alJ4           > A8 61 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002344A6BEEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002344A6C5670, 16 bytes long.
 Data: < alJ4           > 80 61 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002344A6C6180, 992 bytes long.
 Data: <pVlJ4   &#240;&#238;kJ4   > 70 56 6C 4A 34 02 00 00 F0 EE 6B 4A 34 02 00 00 
{96} normal block at 0x000002344A6BED10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002344A6BD2E0, 16 bytes long.
 Data: < GlJ4           > 10 47 6C 4A 34 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002344A6C4710, 40 bytes long.
 Data: <&#224;&#210;kJ4    &#237;kJ4   > E0 D2 6B 4A 34 02 00 00 10 ED 6B 4A 34 02 00 00 
{73} normal block at 0x000002344A6BDAB0, 16 bytes long.
 Data: < &#234;&#205;&#221;&#246;           > 80 EA CD DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002344A6BD010, 16 bytes long.
 Data: <@&#233;&#205;&#221;&#246;           > 40 E9 CD DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002344A6BD920, 16 bytes long.
 Data: <&#248;W&#202;&#221;&#246;           > F8 57 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002344A6BDA60, 16 bytes long.
 Data: <&#216;W&#202;&#221;&#246;           > D8 57 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002344A6BD6F0, 16 bytes long.
 Data: <P &#202;&#221;&#246;           > 50 04 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002344A6BDE20, 16 bytes long.
 Data: <0 &#202;&#221;&#246;           > 30 04 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002344A6BDD30, 16 bytes long.
 Data: <&#224; &#202;&#221;&#246;           > E0 02 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002344A6BD060, 16 bytes long.
 Data: <  &#202;&#221;&#246;           > 10 04 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002344A6BD8D0, 16 bytes long.
 Data: <p &#202;&#221;&#246;           > 70 04 CA DD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002344A6BD0B0, 16 bytes long.
 Data: < &#192;&#200;&#221;&#246;           > 18 C0 C8 DD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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