Task 38698337

Name test_381-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4554_0
Workunit 31638860
Created 2 Nov 2026, 10:10:33 UTC
Sent 2 Nov 2026, 10:10:34 UTC
Report deadline 7 Nov 2026, 10:10:34 UTC
Received 2 Nov 2026, 12:19:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 2 hours 6 min 45 sec
CPU time 2 hours 3 min 32 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 749.73 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:13:36 (10564): wrapper (7.9.26016): starting
19:13:36 (10564): 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
19:13:39 (10564): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:13:39 (10564): 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\2\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\2\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
21:18:45 (10564): C:/Windows/system32/cmd.exe exited; CPU time 7412.125000
21:18:45 (10564): 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: 165716303 bytes.
Dumping objects ->
{3835632} normal block at 0x000002542A5F15D0, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835621} normal block at 0x000002542AB39230, 32 bytes long.
 Data: <HOME=D:\BOINC\da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835610} normal block at 0x000002542AB38BD0, 32 bytes long.
 Data: <TMP=D:\BOINC\dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835599} normal block at 0x000002542AB39770, 32 bytes long.
 Data: <TEMP=D:\BOINC\da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835588} normal block at 0x000002542AB39C50, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835557} normal block at 0x000002542A5F1480, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835546} normal block at 0x0000025428AD3D60, 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) : {3835543} normal block at 0x0000025428A7EE20, 8 bytes long.
 Data: <   (T   > 00 00 91 28 54 02 00 00 
{3834797} normal block at 0x0000025428AD3130, 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 0x0000025428A7EEC0, 8 bytes long.
 Data: <0 &#180;*T   > 30 92 B4 2A 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025428A7B4E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025428A75DD0, 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 0x0000025428A8C420, 16 bytes long.
 Data: <&#200;&#210;&#168;(T           > C8 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025428A8C5B0, 16 bytes long.
 Data: < &#210;&#168;(T           > A0 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025428A86FC0, 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 0x0000025428A8C3D0, 16 bytes long.
 Data: <x&#210;&#168;(T           > 78 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025428A8C740, 16 bytes long.
 Data: <P&#210;&#168;(T           > 50 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025428A8CCE0, 16 bytes long.
 Data: <(&#210;&#168;(T           > 28 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025428A8C970, 16 bytes long.
 Data: < &#210;&#168;(T           > 00 D2 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025428A83FD0, 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 0x0000025428A8C6F0, 16 bytes long.
 Data: < 3&#168;(T           > 98 33 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025428A87080, 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 0x0000025428A8C510, 16 bytes long.
 Data: <p3&#168;(T           > 70 33 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025428A8CBF0, 16 bytes long.
 Data: <H3&#168;(T           > 48 33 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025428A8C100, 16 bytes long.
 Data: < 3&#168;(T           > 20 33 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025428A8C2E0, 16 bytes long.
 Data: < 2&#168;(T           > F8 32 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025428A8C920, 16 bytes long.
 Data: <&#208;2&#168;(T           > D0 32 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025428A8CB50, 16 bytes long.
 Data: <&#168;2&#168;(T           > A8 32 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025428A878C0, 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 0x0000025428A8C1A0, 16 bytes long.
 Data: < 2&#168;(T           > 80 32 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025428A83280, 320 bytes long.
 Data: < &#193;&#168;(T   &#192;x&#168;(T   > A0 C1 A8 28 54 02 00 00 C0 78 A8 28 54 02 00 00 
{279} normal block at 0x0000025428A8C880, 16 bytes long.
 Data: < &#209;&#168;(T           > E0 D1 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025428A8C4C0, 16 bytes long.
 Data: <&#184;&#209;&#168;(T           > B8 D1 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025428A87980, 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 0x0000025428A8CBA0, 16 bytes long.
 Data: < &#209;&#168;(T           > 90 D1 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025428A87560, 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 0x0000025428A8C470, 16 bytes long.
 Data: <&#216;&#208;&#168;(T           > D8 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025428A8C830, 16 bytes long.
 Data: <&#176;&#208;&#168;(T           > B0 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025428A8C790, 16 bytes long.
 Data: < &#208;&#168;(T           > 88 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025428A8CB00, 16 bytes long.
 Data: <`&#208;&#168;(T           > 60 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025428A8C7E0, 16 bytes long.
 Data: <8&#208;&#168;(T           > 38 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025428A8C0B0, 16 bytes long.
 Data: < &#208;&#168;(T           > 10 D0 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025428A8CA10, 16 bytes long.
 Data: <&#192;C&#168;(T           > C0 43 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025428A843C0, 40 bytes long.
 Data: < &#202;&#168;(T     _*T   > 10 CA A8 28 54 02 00 00 80 14 5F 2A 54 02 00 00 
{265} normal block at 0x0000025428A8C6A0, 16 bytes long.
 Data: < &#207;&#168;(T           > F0 CF A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025428A8C060, 16 bytes long.
 Data: <&#200;&#207;&#168;(T           > C8 CF A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025428A87260, 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 0x0000025428A8BED0, 16 bytes long.
 Data: < &#207;&#168;(T           > A0 CF A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025428A8CFA0, 992 bytes long.
 Data: <&#208;&#190;&#168;(T   `r&#168;(T   > D0 BE A8 28 54 02 00 00 60 72 A8 28 54 02 00 00 
{97} normal block at 0x0000025428A87680, 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 0x0000025428A7F5A0, 16 bytes long.
 Data: < B&#168;(T           > 00 42 A8 28 54 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025428A84200, 40 bytes long.
 Data: <  &#167;(T    v&#168;(T   > A0 F5 A7 28 54 02 00 00 80 76 A8 28 54 02 00 00 
{72} normal block at 0x0000025428A7E830, 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 0x0000025428A7E7E0, 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 0x0000025428A7EE70, 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 0x0000025428A7EB50, 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 0x0000025428A7EAB0, 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 0x0000025428A7F460, 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 0x0000025428A7F410, 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 0x0000025428A7ECE0, 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 0x0000025428A7E6F0, 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 0x0000025428A7F230, 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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