Task 38662219

Name test_1877-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND2119_0
Workunit 31605489
Created 24 Oct 2026, 18:23:26 UTC
Sent 24 Oct 2026, 18:23:47 UTC
Report deadline 29 Oct 2026, 18:23:47 UTC
Received 24 Oct 2026, 22:26:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 4 min 35 sec
CPU time 59 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.40 MB
Peak swap size 9.74 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:31:26 (2712): wrapper (7.9.26016): starting
11:31:26 (2712): 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
11:31:28 (2712): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:31:28 (2712): 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
12:34:01 (2712): C:/Windows/system32/cmd.exe exited; CPU time 3595.796875
12:34:01 (2712): 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: 80077135 bytes.
Dumping objects ->
{3835195} normal block at 0x00000140B71AD110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000140B71AD5E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000140B71AD260, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x00000140B54C5DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000140B54C5F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x00000140B71FA290, 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) : {3835107} normal block at 0x00000140B54C0140, 8 bytes long.
 Data: <   &#181;@   > 00 00 88 B5 40 01 00 00 
{3833957} normal block at 0x00000140B54BFF60, 8 bytes long.
 Data: <0RL&#181;@   > 30 52 4C B5 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000140B54C1760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000140B54B6D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000140B54C6AA0, 16 bytes long.
 Data: <&#168;dL&#181;@           > A8 64 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000140B54C67D0, 16 bytes long.
 Data: < dL&#181;@           > 80 64 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000140B54C0FD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000140B54C6640, 16 bytes long.
 Data: <XdL&#181;@           > 58 64 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000140B54C6FA0, 16 bytes long.
 Data: <0dL&#181;@           > 30 64 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000140B54C6A50, 16 bytes long.
 Data: < dL&#181;@           > 08 64 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000140B54C6BE0, 16 bytes long.
 Data: <&#224;cL&#181;@           > E0 63 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000140B54C60C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000140B54C6780, 16 bytes long.
 Data: <&#216;&#230;J&#181;@           > D8 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000140B54C1210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000140B54C6EB0, 16 bytes long.
 Data: <&#176;&#230;J&#181;@           > B0 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000140B54C6A00, 16 bytes long.
 Data: < &#230;J&#181;@           > 88 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000140B54C6730, 16 bytes long.
 Data: <`&#230;J&#181;@           > 60 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000140B54C72C0, 16 bytes long.
 Data: <8&#230;J&#181;@           > 38 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000140B54C6820, 16 bytes long.
 Data: < &#230;J&#181;@           > 10 E6 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000140B54C6C80, 16 bytes long.
 Data: <&#232;&#229;J&#181;@           > E8 E5 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000140B54C0A30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000140B54C66E0, 16 bytes long.
 Data: <&#192;&#229;J&#181;@           > C0 E5 4A B5 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000140B54AE5C0, 320 bytes long.
 Data: <&#224;fL&#181;@   0 L&#181;@   > E0 66 4C B5 40 01 00 00 30 0A 4C B5 40 01 00 00 
{274} normal block at 0x00000140B54C6AF0, 16 bytes long.
 Data: <&#192;cL&#181;@           > C0 63 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000140B54C6F50, 16 bytes long.
 Data: < cL&#181;@           > 98 63 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000140B54C07F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000140B54C6F00, 16 bytes long.
 Data: <pcL&#181;@           > 70 63 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000140B54C0E50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000140B54C73B0, 16 bytes long.
 Data: <&#184;bL&#181;@           > B8 62 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000140B54C6FF0, 16 bytes long.
 Data: < bL&#181;@           > 90 62 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000140B54C7360, 16 bytes long.
 Data: <hbL&#181;@           > 68 62 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000140B54C6E60, 16 bytes long.
 Data: <@bL&#181;@           > 40 62 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000140B54C6960, 16 bytes long.
 Data: < bL&#181;@           > 18 62 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000140B54C0460, 16 bytes long.
 Data: <&#240;aL&#181;@           > F0 61 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000140B54C0410, 16 bytes long.
 Data: < [L&#181;@           > 10 5B 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000140B54C5B10, 40 bytes long.
 Data: <  L&#181;@    &#162; &#183;@   > 10 04 4C B5 40 01 00 00 90 A2 1F B7 40 01 00 00 
{260} normal block at 0x00000140B54C00F0, 16 bytes long.
 Data: <&#208;aL&#181;@           > D0 61 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000140B54BFCE0, 16 bytes long.
 Data: <&#168;aL&#181;@           > A8 61 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000140B54C0B50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000140B54BFC40, 16 bytes long.
 Data: < aL&#181;@           > 80 61 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000140B54C6180, 992 bytes long.
 Data: <@&#252;K&#181;@   P L&#181;@   > 40 FC 4B B5 40 01 00 00 50 0B 4C B5 40 01 00 00 
{92} normal block at 0x00000140B54C10F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000140B54C0230, 16 bytes long.
 Data: <&#224;_L&#181;@           > E0 5F 4C B5 40 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000140B54C5FE0, 40 bytes long.
 Data: <0 L&#181;@   &#240; L&#181;@   > 30 02 4C B5 40 01 00 00 F0 10 4C B5 40 01 00 00 
{69} normal block at 0x00000140B54BFE70, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000140B54BF830, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000140B54BF6A0, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000140B54BF600, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000140B54C02D0, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000140B54BFE20, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000140B54BF790, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000140B54C03C0, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000140B54BF650, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000140B54BF970, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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