Task 38696277

Name test_971-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7838_0
Workunit 31636919
Created 31 Oct 2026, 21:37:37 UTC
Sent 31 Oct 2026, 21:37:46 UTC
Report deadline 5 Nov 2026, 21:37:46 UTC
Received 31 Oct 2026, 23:31:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549691
Run time 30 min 24 sec
CPU time 29 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.62 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:00:53 (14296): wrapper (7.9.26016): starting
19:00:53 (14296): 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
19:00:54 (14296): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:00:54 (14296): 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
19:31:24 (14296): C:/Windows/system32/cmd.exe exited; CPU time 1769.937500
19:31:24 (14296): 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: 39902565 bytes.
Dumping objects ->
{3835407} normal block at 0x00000216772815D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x0000021677281410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000021677281560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835374} normal block at 0x0000021677280FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000021677281020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835332} normal block at 0x000002167738C150, 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) : {3835319} normal block at 0x00000216757C7280, 8 bytes long.
 Data: <  )w    > 00 00 29 77 16 02 00 00 
{3833957} normal block at 0x00000216757C78C0, 8 bytes long.
 Data: <&#160;iBw    > A0 69 42 77 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000216757D1020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000216757BB450, 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 0x00000216757D2470, 16 bytes long.
 Data: <&#168;C}u            > A8 43 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000216757D2880, 16 bytes long.
 Data: < C}u            > 80 43 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000216757CEBE0, 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 0x00000216757D21A0, 16 bytes long.
 Data: <XC}u            > 58 43 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000216757D2970, 16 bytes long.
 Data: <0C}u            > 30 43 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000216757D2150, 16 bytes long.
 Data: < C}u            > 08 43 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000216757D2A60, 16 bytes long.
 Data: <&#224;B}u            > E0 42 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000216757CDBC0, 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 0x00000216757D2830, 16 bytes long.
 Data: <&#200;`{u            > C8 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000216757CE040, 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 0x00000216757D2100, 16 bytes long.
 Data: <&#160;`{u            > A0 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000216757D27E0, 16 bytes long.
 Data: <x`{u            > 78 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000216757D2790, 16 bytes long.
 Data: <P`{u            > 50 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000216757D20B0, 16 bytes long.
 Data: <(`{u            > 28 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000216757D3000, 16 bytes long.
 Data: < `{u            > 00 60 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000216757D2740, 16 bytes long.
 Data: <&#216;_{u            > D8 5F 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000216757CEDC0, 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 0x00000216757D2FB0, 16 bytes long.
 Data: <&#176;_{u            > B0 5F 7B 75 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000216757B5FB0, 320 bytes long.
 Data: <&#176;/}u    &#192;&#237;|u    > B0 2F 7D 75 16 02 00 00 C0 ED 7C 75 16 02 00 00 
{274} normal block at 0x00000216757D2A10, 16 bytes long.
 Data: <&#192;B}u            > C0 42 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000216757D2F60, 16 bytes long.
 Data: < B}u            > 98 42 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000216757CED60, 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 0x00000216757D29C0, 16 bytes long.
 Data: <pB}u            > 70 42 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000216757CE1C0, 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 0x00000216757D2920, 16 bytes long.
 Data: <&#184;A}u            > B8 41 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000216757D2C90, 16 bytes long.
 Data: < A}u            > 90 41 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000216757D26F0, 16 bytes long.
 Data: <hA}u            > 68 41 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000216757D2BA0, 16 bytes long.
 Data: <@A}u            > 40 41 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000216757D26A0, 16 bytes long.
 Data: < A}u            > 18 41 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000216757D2650, 16 bytes long.
 Data: <&#240;@}u            > F0 40 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000216757D2F10, 16 bytes long.
 Data: <&#208;&#222;|u            > D0 DE 7C 75 16 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000216757CDED0, 40 bytes long.
 Data: < /}u    P&#193;8w    > 10 2F 7D 75 16 02 00 00 50 C1 38 77 16 02 00 00 
{260} normal block at 0x00000216757D2EC0, 16 bytes long.
 Data: <&#208;@}u            > D0 40 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000216757D2D80, 16 bytes long.
 Data: <&#168;@}u            > A8 40 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000216757CE520, 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 0x00000216757D2380, 16 bytes long.
 Data: < @}u            > 80 40 7D 75 16 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000216757D4080, 992 bytes long.
 Data: < #}u     &#229;|u    > 80 23 7D 75 16 02 00 00 20 E5 7C 75 16 02 00 00 
{92} normal block at 0x00000216757CE160, 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 0x00000216757C7500, 16 bytes long.
 Data: <&#224;&#218;|u            > E0 DA 7C 75 16 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000216757CDAE0, 40 bytes long.
 Data: < u|u    `&#225;|u    > 00 75 7C 75 16 02 00 00 60 E1 7C 75 16 02 00 00 
{69} normal block at 0x00000216757C6CE0, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000216757C7410, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000216757C7230, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000216757C6B50, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000216757C70F0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000216757C75A0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000216757C7190, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000216757C7000, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000216757C77D0, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000216757C7870, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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