Task 38697186

Name test_276-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5336_0
Workunit 31637773
Created 1 Nov 2026, 10:20:24 UTC
Sent 1 Nov 2026, 10:20:28 UTC
Report deadline 6 Nov 2026, 10:20:28 UTC
Received 1 Nov 2026, 12:29:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 2 hours 7 min 12 sec
CPU time 2 hours 4 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,614.88 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.64 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:22:54 (31368): wrapper (7.9.26016): starting
19:22:54 (31368): 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
19:22:58 (31368): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:22:58 (31368): 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 'D:\BOINC\data\slots\12\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 'D:\BOINC\data\slots\12\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
21:28:23 (31368): C:/Windows/system32/cmd.exe exited; CPU time 7440.078125
21:28:23 (31368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
446 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: 166174193 bytes.
Dumping objects ->
{3835638} normal block at 0x000001B9620914F0, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835627} normal block at 0x000001B9621D57B0, 32 bytes long.
 Data: <HOME=D:\BOINC\da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835616} normal block at 0x000001B9621D5D50, 32 bytes long.
 Data: <TMP=D:\BOINC\dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835605} normal block at 0x000001B9621D5E10, 32 bytes long.
 Data: <TEMP=D:\BOINC\da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835594} normal block at 0x000001B9621D5690, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835563} normal block at 0x000001B9620911E0, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835552} normal block at 0x000001B95FF71940, 135 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) : {3835549} normal block at 0x000001B95FF1F120, 8 bytes long.
 Data: <   _&#185;   > 00 00 E4 5F B9 01 00 00 
{3834800} normal block at 0x000001B95FF734E0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000001B95FF1E590, 8 bytes long.
 Data: <P&#182; b&#185;   > 50 B6 1D 62 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001B95FF1AED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B95FF10500, 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 0x000001B95FF2A750, 16 bytes long.
 Data: < &#178; _&#185;           > 18 B2 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B95FF2A840, 16 bytes long.
 Data: < &#177; _&#185;           > F0 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B95FF24A10, 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 0x000001B95FF2A7A0, 16 bytes long.
 Data: <&#200;&#177; _&#185;           > C8 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B95FF2AE30, 16 bytes long.
 Data: < &#177; _&#185;           > A0 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B95FF2A110, 16 bytes long.
 Data: <x&#177; _&#185;           > 78 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B95FF2A480, 16 bytes long.
 Data: <P&#177; _&#185;           > 50 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B95FF26130, 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 0x000001B95FF2AD40, 16 bytes long.
 Data: <H1 _&#185;           > 48 31 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B95FF24E30, 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 0x000001B95FF2A700, 16 bytes long.
 Data: < 1 _&#185;           > 20 31 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B95FF2A6B0, 16 bytes long.
 Data: < 0 _&#185;           > F8 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B95FF2A2F0, 16 bytes long.
 Data: <&#208;0 _&#185;           > D0 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B95FF29FD0, 16 bytes long.
 Data: <&#168;0 _&#185;           > A8 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B95FF29F80, 16 bytes long.
 Data: < 0 _&#185;           > 80 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B95FF2A070, 16 bytes long.
 Data: <X0 _&#185;           > 58 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B95FF24DD0, 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 0x000001B95FF2AB60, 16 bytes long.
 Data: <00 _&#185;           > 30 30 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B95FF23030, 320 bytes long.
 Data: <`&#171; _&#185;   &#208;M _&#185;   > 60 AB F2 5F B9 01 00 00 D0 4D F2 5F B9 01 00 00 
{279} normal block at 0x000001B95FF2AC50, 16 bytes long.
 Data: <0&#177; _&#185;           > 30 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B95FF2ADE0, 16 bytes long.
 Data: < &#177; _&#185;           > 08 B1 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B95FF24230, 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 0x000001B95FF29F30, 16 bytes long.
 Data: < &#176; _&#185;           > E0 B0 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B95FF24B90, 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 0x000001B95FF2A430, 16 bytes long.
 Data: <(&#176; _&#185;           > 28 B0 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B95FF2ACF0, 16 bytes long.
 Data: < &#176; _&#185;           > 00 B0 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B95FF2A250, 16 bytes long.
 Data: <&#216;&#175; _&#185;           > D8 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B95FF2AC00, 16 bytes long.
 Data: <&#176;&#175; _&#185;           > B0 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B95FF2A200, 16 bytes long.
 Data: < &#175; _&#185;           > 88 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B95FF2A2A0, 16 bytes long.
 Data: <`&#175; _&#185;           > 60 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B95FF2ACA0, 16 bytes long.
 Data: <&#208;c _&#185;           > D0 63 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B95FF263D0, 40 bytes long.
 Data: < &#172; _&#185;     	b&#185;   > A0 AC F2 5F B9 01 00 00 E0 11 09 62 B9 01 00 00 
{265} normal block at 0x000001B95FF2ABB0, 16 bytes long.
 Data: <@&#175; _&#185;           > 40 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B95FF2A3E0, 16 bytes long.
 Data: < &#175; _&#185;           > 18 AF F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B95FF24530, 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 0x000001B95FF2A1B0, 16 bytes long.
 Data: < &#174; _&#185;           > F0 AE F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B95FF2AEF0, 992 bytes long.
 Data: <&#176;&#161; _&#185;   0E _&#185;   > B0 A1 F2 5F B9 01 00 00 30 45 F2 5F B9 01 00 00 
{97} normal block at 0x000001B95FF24770, 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 0x000001B95FF1F0D0, 16 bytes long.
 Data: <pf _&#185;           > 70 66 F2 5F B9 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001B95FF26670, 40 bytes long.
 Data: <&#208;  _&#185;   pG _&#185;   > D0 F0 F1 5F B9 01 00 00 70 47 F2 5F B9 01 00 00 
{72} normal block at 0x000001B95FF1F170, 16 bytes long.
 Data: <  c&#170;            > 80 EA 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B95FF1EA40, 16 bytes long.
 Data: <@ c&#170;            > 40 E9 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B95FF1EF40, 16 bytes long.
 Data: < W`&#170;            > F8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B95FF1E540, 16 bytes long.
 Data: <&#216;W`&#170;            > D8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B95FF1E450, 16 bytes long.
 Data: <P `&#170;            > 50 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B95FF1E770, 16 bytes long.
 Data: <0 `&#170;            > 30 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B95FF1EEF0, 16 bytes long.
 Data: <  `&#170;            > E0 02 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B95FF1E720, 16 bytes long.
 Data: <  `&#170;            > 10 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B95FF1EFE0, 16 bytes long.
 Data: <p `&#170;            > 70 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B95FF1E4F0, 16 bytes long.
 Data: < &#192;^&#170;            > 18 C0 5E AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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