Task 38674268

Name test_801-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9835_0
Workunit 31616313
Created 26 Oct 2026, 4:46:49 UTC
Sent 26 Oct 2026, 4:46:53 UTC
Report deadline 31 Oct 2026, 4:46:53 UTC
Received 26 Oct 2026, 6:15:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 31 sec
CPU time 29 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.19 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:45:41 (2724): wrapper (7.9.26016): starting
06:45:41 (2724): 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
06:45:42 (2724): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:45:42 (2724): 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
07:14:26 (2724): C:/Windows/system32/cmd.exe exited; CPU time 1762.640625
07:14:26 (2724): 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: 19908211 bytes.
Dumping objects ->
{3835245} normal block at 0x000001A9ED3B0A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001A9ED3B1560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001A9ED3B1330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000001A9ED3B08B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001A9ED3B0D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000001A9ED48AE10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001A9EB829630, 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) : {3835156} normal block at 0x000001A9EB7C6760, 8 bytes long.
 Data: <  v&#235;&#169;   > 00 00 76 EB A9 01 00 00 
{3834558} normal block at 0x000001A9EB82A190, 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 0x000001A9EB7C6D00, 8 bytes long.
 Data: <&#176;oN&#237;&#169;   > B0 6F 4E ED A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001A9EB7D1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A9EB7B5DB0, 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 0x000001A9EB7D2340, 16 bytes long.
 Data: < 8}&#235;&#169;           > 98 38 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A9EB7D2D40, 16 bytes long.
 Data: <p8}&#235;&#169;           > 70 38 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A9EB7CD510, 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 0x000001A9EB7D2B60, 16 bytes long.
 Data: <H8}&#235;&#169;           > 48 38 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A9EB7D2B10, 16 bytes long.
 Data: < 8}&#235;&#169;           > 20 38 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A9EB7D2570, 16 bytes long.
 Data: <&#248;7}&#235;&#169;           > F8 37 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A9EB7D27F0, 16 bytes long.
 Data: <&#208;7}&#235;&#169;           > D0 37 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A9EB7CB740, 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 0x000001A9EB7D2BB0, 16 bytes long.
 Data: <H]{&#235;&#169;           > 48 5D 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A9EB7CD4B0, 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 0x000001A9EB7D2F20, 16 bytes long.
 Data: < ]{&#235;&#169;           > 20 5D 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9EB7D2AC0, 16 bytes long.
 Data: <&#248;\{&#235;&#169;           > F8 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A9EB7D2E30, 16 bytes long.
 Data: <&#208;\{&#235;&#169;           > D0 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A9EB7D2A70, 16 bytes long.
 Data: <&#168;\{&#235;&#169;           > A8 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A9EB7D2520, 16 bytes long.
 Data: < \{&#235;&#169;           > 80 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A9EB7D22A0, 16 bytes long.
 Data: <X\{&#235;&#169;           > 58 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A9EB7CD6F0, 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 0x000001A9EB7D2930, 16 bytes long.
 Data: <0\{&#235;&#169;           > 30 5C 7B EB A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A9EB7B5C30, 320 bytes long.
 Data: <0)}&#235;&#169;   &#240;&#214;|&#235;&#169;   > 30 29 7D EB A9 01 00 00 F0 D6 7C EB A9 01 00 00 
{279} normal block at 0x000001A9EB7D30B0, 16 bytes long.
 Data: <&#176;7}&#235;&#169;           > B0 37 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A9EB7D27A0, 16 bytes long.
 Data: < 7}&#235;&#169;           > 88 37 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A9EB7CD450, 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 0x000001A9EB7D2DE0, 16 bytes long.
 Data: <`7}&#235;&#169;           > 60 37 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A9EB7CCB50, 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 0x000001A9EB7D2A20, 16 bytes long.
 Data: <&#168;6}&#235;&#169;           > A8 36 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A9EB7D24D0, 16 bytes long.
 Data: < 6}&#235;&#169;           > 80 36 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A9EB7D2610, 16 bytes long.
 Data: <X6}&#235;&#169;           > 58 36 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A9EB7D26B0, 16 bytes long.
 Data: <06}&#235;&#169;           > 30 36 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A9EB7D28E0, 16 bytes long.
 Data: < 6}&#235;&#169;           > 08 36 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A9EB7D29D0, 16 bytes long.
 Data: <&#224;5}&#235;&#169;           > E0 35 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9EB7D2D90, 16 bytes long.
 Data: <p&#178;|&#235;&#169;           > 70 B2 7C EB A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A9EB7CB270, 40 bytes long.
 Data: < -}&#235;&#169;    &#174;H&#237;&#169;   > 90 2D 7D EB A9 01 00 00 10 AE 48 ED A9 01 00 00 
{265} normal block at 0x000001A9EB7D2C00, 16 bytes long.
 Data: <&#192;5}&#235;&#169;           > C0 35 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9EB7D3010, 16 bytes long.
 Data: < 5}&#235;&#169;           > 98 35 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A9EB7CD3F0, 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 0x000001A9EB7D2200, 16 bytes long.
 Data: <p5}&#235;&#169;           > 70 35 7D EB A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9EB7D3570, 992 bytes long.
 Data: < "}&#235;&#169;   &#240;&#211;|&#235;&#169;   > 00 22 7D EB A9 01 00 00 F0 D3 7C EB A9 01 00 00 
{97} normal block at 0x000001A9EB7CD330, 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 0x000001A9EB7C69E0, 16 bytes long.
 Data: <&#208;&#182;|&#235;&#169;           > D0 B6 7C EB A9 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001A9EB7CB6D0, 40 bytes long.
 Data: <&#224;i|&#235;&#169;   0&#211;|&#235;&#169;   > E0 69 7C EB A9 01 00 00 30 D3 7C EB A9 01 00 00 
{74} normal block at 0x000001A9EB7C7020, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A9EB7C6710, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A9EB7C6CB0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A9EB7C6BC0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A9EB7C6F30, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A9EB7C6B20, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A9EB7C6EE0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A9EB7C6DA0, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A9EB7C7340, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9EB7C6530, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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