Task 38696572

Name test_521-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0259_0
Workunit 31637196
Created 1 Nov 2026, 1:53:03 UTC
Sent 1 Nov 2026, 1:53:08 UTC
Report deadline 6 Nov 2026, 1:53:08 UTC
Received 1 Nov 2026, 5:18:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 3 hours 22 min 50 sec
CPU time 3 hours 15 min 50 sec
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 757.65 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:55:19 (33968): wrapper (7.9.26016): starting
10:55:19 (33968): 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
10:55:22 (33968): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:55:22 (33968): 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: Exiting with failure status due to previous errors
14:17:20 (33968): C:/Windows/system32/cmd.exe exited; CPU time 11750.562500
14:17:20 (33968): 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: 263908725 bytes.
Dumping objects ->
{3835638} normal block at 0x000002336D610D80, 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 0x000002336D75C2B0, 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 0x000002336D75BD70, 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 0x000002336D75CB50, 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 0x000002336D75CDF0, 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 0x000002336D610D10, 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 0x000002336B6549F0, 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 0x000002336B5FF230, 8 bytes long.
 Data: <  ;k3   > 00 00 3B 6B 33 02 00 00 
{3834800} normal block at 0x000002336B6552E0, 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 0x000002336B5FF2D0, 8 bytes long.
 Data: <&#208;&#165;ym3   > D0 A5 79 6D 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002336B5FB260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002336B5F5F80, 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 0x000002336B60A5E0, 16 bytes long.
 Data: < &#181;`k3           > 08 B5 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002336B60AEF0, 16 bytes long.
 Data: < &#180;`k3           > E0 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002336B604D50, 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 0x000002336B60AEA0, 16 bytes long.
 Data: <&#184;&#180;`k3           > B8 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002336B60AAE0, 16 bytes long.
 Data: < &#180;`k3           > 90 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002336B60A310, 16 bytes long.
 Data: <h&#180;`k3           > 68 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002336B60A590, 16 bytes long.
 Data: <@&#180;`k3           > 40 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002336B6061D0, 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 0x000002336B60A680, 16 bytes long.
 Data: <&#216;4`k3           > D8 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002336B604810, 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 0x000002336B60B120, 16 bytes long.
 Data: <&#176;4`k3           > B0 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002336B60A950, 16 bytes long.
 Data: < 4`k3           > 88 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002336B60B0D0, 16 bytes long.
 Data: <`4`k3           > 60 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002336B60AB80, 16 bytes long.
 Data: <84`k3           > 38 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002336B60AA90, 16 bytes long.
 Data: < 4`k3           > 10 34 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002336B60A9F0, 16 bytes long.
 Data: < 3`k3           > E8 33 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002336B604C30, 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 0x000002336B60B030, 16 bytes long.
 Data: <&#192;3`k3           > C0 33 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002336B6033C0, 320 bytes long.
 Data: <0&#176;`k3   0L`k3   > 30 B0 60 6B 33 02 00 00 30 4C 60 6B 33 02 00 00 
{279} normal block at 0x000002336B60AD10, 16 bytes long.
 Data: < &#180;`k3           > 20 B4 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002336B60ACC0, 16 bytes long.
 Data: < &#179;`k3           > F8 B3 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002336B604510, 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 0x000002336B60A3B0, 16 bytes long.
 Data: <&#208;&#179;`k3           > D0 B3 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002336B6047B0, 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 0x000002336B60A2C0, 16 bytes long.
 Data: < &#179;`k3           > 18 B3 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002336B60A4F0, 16 bytes long.
 Data: < &#178;`k3           > F0 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002336B60AFE0, 16 bytes long.
 Data: <&#200;&#178;`k3           > C8 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002336B60B080, 16 bytes long.
 Data: < &#178;`k3           > A0 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002336B60A9A0, 16 bytes long.
 Data: <x&#178;`k3           > 78 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002336B60A450, 16 bytes long.
 Data: <P&#178;`k3           > 50 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002336B60AE50, 16 bytes long.
 Data: < ``k3           > F0 60 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002336B6060F0, 40 bytes long.
 Data: <P&#174;`k3     am3   > 50 AE 60 6B 33 02 00 00 10 0D 61 6D 33 02 00 00 
{265} normal block at 0x000002336B60AE00, 16 bytes long.
 Data: <0&#178;`k3           > 30 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002336B60A4A0, 16 bytes long.
 Data: < &#178;`k3           > 08 B2 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002336B6048D0, 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 0x000002336B60AD60, 16 bytes long.
 Data: < &#177;`k3           > E0 B1 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002336B60B1E0, 992 bytes long.
 Data: <`&#173;`k3   &#208;H`k3   > 60 AD 60 6B 33 02 00 00 D0 48 60 6B 33 02 00 00 
{97} normal block at 0x000002336B604F30, 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 0x000002336B5FF550, 16 bytes long.
 Data: <0_`k3           > 30 5F 60 6B 33 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002336B605F30, 40 bytes long.
 Data: <P _k3   0O`k3   > 50 F5 5F 6B 33 02 00 00 30 4F 60 6B 33 02 00 00 
{72} normal block at 0x000002336B5FF000, 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 0x000002336B5FEC40, 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 0x000002336B5FE7E0, 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 0x000002336B5FED80, 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 0x000002336B5FEF10, 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 0x000002336B5FEFB0, 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 0x000002336B5FEB50, 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 0x000002336B5FF320, 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 0x000002336B5FEB00, 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 0x000002336B5FF1E0, 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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