Task 38686088

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8511_0
Workunit 31627533
Created 28 Oct 2026, 0:36:45 UTC
Sent 28 Oct 2026, 0:36:45 UTC
Report deadline 2 Nov 2026, 0:36:45 UTC
Received 28 Oct 2026, 3:42:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 55 min 51 sec
CPU time 48 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.80 MB
Peak swap size 8.42 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:48:23 (31512): wrapper (7.9.26016): starting
19:48:23 (31512): 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
19:48:25 (31512): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:48:25 (31512): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:41:47 (31512): C:/Windows/system32/cmd.exe exited; CPU time 2912.765625
20:41:47 (31512): 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: 60869049 bytes.
Dumping objects ->
{3835458} normal block at 0x0000025FB0319280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000025FB0319670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000025FB03199F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000025FAE4A5530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000025FAE4A55A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000025FB02C64F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000025FB02DF3C0, 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) : {3835369} normal block at 0x0000025FAE49DFD0, 8 bytes long.
 Data: <  &#154;&#174;_   > 00 00 9A AE 5F 02 00 00 
{3834654} normal block at 0x0000025FB02DF730, 102 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 0x0000025FAE49DE40, 8 bytes long.
 Data: <&#208;V2&#176;_   > D0 56 32 B0 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000025FAE4A1CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000025FAE4967D0, 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 0x0000025FAE4A6B50, 16 bytes long.
 Data: <XrJ&#174;_           > 58 72 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025FAE4A6060, 16 bytes long.
 Data: <0rJ&#174;_           > 30 72 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025FAE49F8F0, 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 0x0000025FAE4A6830, 16 bytes long.
 Data: < rJ&#174;_           > 08 72 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025FAE4A6330, 16 bytes long.
 Data: <&#224;qJ&#174;_           > E0 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025FAE4A67E0, 16 bytes long.
 Data: <&#184;qJ&#174;_           > B8 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025FAE4A6510, 16 bytes long.
 Data: < qJ&#174;_           > 90 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025FAE4A5610, 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 0x0000025FAE4A6BA0, 16 bytes long.
 Data: <X\J&#174;_           > 58 5C 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025FAE4A0490, 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 0x0000025FAE4A64C0, 16 bytes long.
 Data: <0\J&#174;_           > 30 5C 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025FAE4A66A0, 16 bytes long.
 Data: < \J&#174;_           > 08 5C 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025FAE4A5F70, 16 bytes long.
 Data: <&#224;[J&#174;_           > E0 5B 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025FAE4A6B00, 16 bytes long.
 Data: <&#184;[J&#174;_           > B8 5B 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025FAE4A6BF0, 16 bytes long.
 Data: < [J&#174;_           > 90 5B 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025FAE4A6600, 16 bytes long.
 Data: <h[J&#174;_           > 68 5B 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025FAE49FDD0, 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 0x0000025FAE4A6CE0, 16 bytes long.
 Data: <@[J&#174;_           > 40 5B 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025FAE4A5B40, 320 bytes long.
 Data: <&#224;lJ&#174;_   &#208;&#253;I&#174;_   > E0 6C 4A AE 5F 02 00 00 D0 FD 49 AE 5F 02 00 00 
{278} normal block at 0x0000025FAE4A6470, 16 bytes long.
 Data: <pqJ&#174;_           > 70 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025FAE4A66F0, 16 bytes long.
 Data: <HqJ&#174;_           > 48 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025FAE49FBF0, 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 0x0000025FAE4A5FC0, 16 bytes long.
 Data: < qJ&#174;_           > 20 71 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025FAE4A0070, 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 0x0000025FAE4A6290, 16 bytes long.
 Data: <hpJ&#174;_           > 68 70 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025FAE4A6420, 16 bytes long.
 Data: <@pJ&#174;_           > 40 70 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025FAE4A6C90, 16 bytes long.
 Data: < pJ&#174;_           > 18 70 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025FAE4A6650, 16 bytes long.
 Data: <&#240;oJ&#174;_           > F0 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025FAE4A63D0, 16 bytes long.
 Data: <&#200;oJ&#174;_           > C8 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025FAE4A62E0, 16 bytes long.
 Data: <&#160;oJ&#174;_           > A0 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025FAE4A61F0, 16 bytes long.
 Data: <&#240;OJ&#174;_           > F0 4F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025FAE4A4FF0, 40 bytes long.
 Data: <&#240;aJ&#174;_   &#240;d,&#176;_   > F0 61 4A AE 5F 02 00 00 F0 64 2C B0 5F 02 00 00 
{264} normal block at 0x0000025FAE4A6E20, 16 bytes long.
 Data: < oJ&#174;_           > 80 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025FAE4A65B0, 16 bytes long.
 Data: <XoJ&#174;_           > 58 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025FAE49FF50, 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 0x0000025FAE4A6790, 16 bytes long.
 Data: <0oJ&#174;_           > 30 6F 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025FAE4A6F30, 992 bytes long.
 Data: < gJ&#174;_   P&#255;I&#174;_   > 90 67 4A AE 5F 02 00 00 50 FF 49 AE 5F 02 00 00 
{96} normal block at 0x0000025FAE4A0610, 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 0x0000025FAE49DD00, 16 bytes long.
 Data: <&#208;PJ&#174;_           > D0 50 4A AE 5F 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000025FAE4A50D0, 40 bytes long.
 Data: < &#221;I&#174;_     J&#174;_   > 00 DD 49 AE 5F 02 00 00 10 06 4A AE 5F 02 00 00 
{73} normal block at 0x0000025FAE49E1B0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025FAE49E660, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025FAE49E430, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025FAE49DDF0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025FAE49E390, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025FAE49E7F0, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025FAE49E2A0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025FAE49DDA0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025FAE49DEE0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025FAE49DD50, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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