Task 38685588

Name test_459-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4761_0
Workunit 31627050
Created 27 Oct 2026, 21:52:25 UTC
Sent 27 Oct 2026, 21:52:27 UTC
Report deadline 1 Nov 2026, 21:52:27 UTC
Received 27 Oct 2026, 22:25:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592657
Run time 29 min 19 sec
CPU time 26 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.86 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:57:00 (42916): wrapper (7.9.26016): starting
17:57:00 (42916): 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
17:57:02 (42916): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:57:02 (42916): 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
18:25:01 (42916): C:/Windows/system32/cmd.exe exited; CPU time 1603.546875
18:25:01 (42916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 45209161 bytes.
Dumping objects ->
{3835253} normal block at 0x000002102F18C480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000002102F18BBC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002102F18BCA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000002102F18C1E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000002102F18BB50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002102F12C850, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835165} normal block at 0x000002102D3DCFB0, 8 bytes long.
 Data: <  7-    > 00 00 37 2D 10 02 00 00 
{3833995} normal block at 0x000002102D3DC290, 8 bytes long.
 Data: <@&#235;K-    > 40 EB 4B 2D 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {329} normal block at 0x000002102D3D19F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000002102D3D0330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{313} normal block at 0x000002102D3E4B60, 16 bytes long.
 Data: <X]>-            > 58 5D 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000002102D3E4FC0, 16 bytes long.
 Data: <0]>-            > 30 5D 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000002102D3DE270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{310} normal block at 0x000002102D3E5790, 16 bytes long.
 Data: < ]>-            > 08 5D 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002102D3E5150, 16 bytes long.
 Data: <&#224;\>-            > E0 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002102D3E4D40, 16 bytes long.
 Data: <&#184;\>-            > B8 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002102D3E4F70, 16 bytes long.
 Data: < \>-            > 90 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002102D3E1330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{305} normal block at 0x000002102D3E5880, 16 bytes long.
 Data: <&#200;.=-            > C8 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002102D3DE090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{303} normal block at 0x000002102D3E4ED0, 16 bytes long.
 Data: <&#160;.=-            > A0 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002102D3E53D0, 16 bytes long.
 Data: <x.=-            > 78 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002102D3E57E0, 16 bytes long.
 Data: <P.=-            > 50 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002102D3E5060, 16 bytes long.
 Data: <(.=-            > 28 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002102D3E56A0, 16 bytes long.
 Data: < .=-            > 00 2E 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002102D3E4E80, 16 bytes long.
 Data: <&#216;-=-            > D8 2D 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002102D3DE750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{295} normal block at 0x000002102D3E4F20, 16 bytes long.
 Data: <&#176;-=-            > B0 2D 3D 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002102D3D2DB0, 320 bytes long.
 Data: < O>-    P&#231;=-    > 20 4F 3E 2D 10 02 00 00 50 E7 3D 2D 10 02 00 00 
{293} normal block at 0x000002102D3E5510, 16 bytes long.
 Data: <p\>-            > 70 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002102D3E55B0, 16 bytes long.
 Data: <H\>-            > 48 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002102D3DE2D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{290} normal block at 0x000002102D3E4DE0, 16 bytes long.
 Data: < \>-            > 20 5C 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002102D3DE990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{288} normal block at 0x000002102D3E5290, 16 bytes long.
 Data: <h[>-            > 68 5B 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002102D3E4B10, 16 bytes long.
 Data: <@[>-            > 40 5B 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002102D3E4A70, 16 bytes long.
 Data: < [>-            > 18 5B 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002102D3E5470, 16 bytes long.
 Data: <&#240;Z>-            > F0 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002102D3E4D90, 16 bytes long.
 Data: <&#200;Z>-            > C8 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002102D3E59C0, 16 bytes long.
 Data: <&#160;Z>-            > A0 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002102D3E5740, 16 bytes long.
 Data: <  >-            > 00 11 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002102D3E1100, 40 bytes long.
 Data: <@W>-    P&#200; /    > 40 57 3E 2D 10 02 00 00 50 C8 12 2F 10 02 00 00 
{279} normal block at 0x000002102D3E4E30, 16 bytes long.
 Data: < Z>-            > 80 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002102D3E4CF0, 16 bytes long.
 Data: <XZ>-            > 58 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002102D3DE030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{276} normal block at 0x000002102D3E52E0, 16 bytes long.
 Data: <0Z>-            > 30 5A 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002102D3E5A30, 992 bytes long.
 Data: <&#224;R>-    0&#224;=-    > E0 52 3E 2D 10 02 00 00 30 E0 3D 2D 10 02 00 00 
{111} normal block at 0x000002102D3DE6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{110} normal block at 0x000002102D3DC240, 16 bytes long.
 Data: <  >-            > 90 10 3E 2D 10 02 00 00 00 00 00 00 00 00 00 00 
{109} normal block at 0x000002102D3E1090, 40 bytes long.
 Data: <@&#194;=-    &#240;&#230;=-    > 40 C2 3D 2D 10 02 00 00 F0 E6 3D 2D 10 02 00 00 
{88} normal block at 0x000002102D3DC7E0, 16 bytes long.
 Data: < &#234; .&#246;           > 80 EA 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002102D3DCF60, 16 bytes long.
 Data: <@&#233; .&#246;           > 40 E9 05 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002102D3DCEC0, 16 bytes long.
 Data: <&#248;W .&#246;           > F8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002102D3DC8D0, 16 bytes long.
 Data: <&#216;W .&#246;           > D8 57 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002102D3DC100, 16 bytes long.
 Data: <P  .&#246;           > 50 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002102D3DC830, 16 bytes long.
 Data: <0  .&#246;           > 30 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002102D3DC9C0, 16 bytes long.
 Data: <&#224;  .&#246;           > E0 02 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002102D3DCF10, 16 bytes long.
 Data: <   .&#246;           > 10 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002102D3DC2E0, 16 bytes long.
 Data: <p  .&#246;           > 70 04 02 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002102D3DC5B0, 16 bytes long.
 Data: < &#192; .&#246;           > 18 C0 00 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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