Task 38685452

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7656_0
Workunit 31626918
Created 27 Oct 2026, 21:06:14 UTC
Sent 27 Oct 2026, 21:06:20 UTC
Report deadline 1 Nov 2026, 21:06:20 UTC
Received 27 Oct 2026, 22:30:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 21 min 7 sec
CPU time 20 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.93 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:06:41 (10360): wrapper (7.9.26016): starting
17:06:41 (10360): 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
17:06:42 (10360): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:06:42 (10360): 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
17:27:13 (10360): C:/Windows/system32/cmd.exe exited; CPU time 1231.578125
17:27:13 (10360): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15443319 bytes.
Dumping objects ->
{3835569} normal block at 0x000001B725153B70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001B725153BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001B725153940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001B725153860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001B725153A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001B726E94820, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001B72522EC20, 235 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) : {3835480} normal block at 0x000001B72514EA90, 8 bytes long.
 Data: <   %&#183;   > 00 00 10 25 B7 01 00 00 
{3834703} normal block at 0x000001B72522EED0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001B72514EBD0, 8 bytes long.
 Data: < S&#239;&&#183;   > 20 53 EF 26 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B72514FF20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B72513ED20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001B7251550D0, 16 bytes long.
 Data: <hX %&#183;           > 68 58 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B725154EA0, 16 bytes long.
 Data: <@X %&#183;           > 40 58 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B72514FBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001B725154270, 16 bytes long.
 Data: < X %&#183;           > 18 58 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B7251548B0, 16 bytes long.
 Data: <&#240;W %&#183;           > F0 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B7251546D0, 16 bytes long.
 Data: <&#200;W %&#183;           > C8 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B725154540, 16 bytes long.
 Data: <&#160;W %&#183;           > A0 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B72513FD40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001B725154810, 16 bytes long.
 Data: <&#216;&#252; %&#183;           > D8 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B72514F490, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001B7251549A0, 16 bytes long.
 Data: <&#176;&#252; %&#183;           > B0 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B7251549F0, 16 bytes long.
 Data: < &#252; %&#183;           > 88 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B725154590, 16 bytes long.
 Data: <`&#252; %&#183;           > 60 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B7251544A0, 16 bytes long.
 Data: <8&#252; %&#183;           > 38 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B725154950, 16 bytes long.
 Data: < &#252; %&#183;           > 10 FC 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B725155030, 16 bytes long.
 Data: <&#232;&#251; %&#183;           > E8 FB 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B72514F070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001B725155080, 16 bytes long.
 Data: <&#192;&#251; %&#183;           > C0 FB 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B72513FBC0, 320 bytes long.
 Data: < P %&#183;   p&#240; %&#183;   > 80 50 15 25 B7 01 00 00 70 F0 14 25 B7 01 00 00 
{273} normal block at 0x000001B725154F90, 16 bytes long.
 Data: < W %&#183;           > 80 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B725154EF0, 16 bytes long.
 Data: <XW %&#183;           > 58 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B72514FA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001B725154E00, 16 bytes long.
 Data: <0W %&#183;           > 30 57 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B72514F7F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001B725154860, 16 bytes long.
 Data: <xV %&#183;           > 78 56 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B725154B80, 16 bytes long.
 Data: <PV %&#183;           > 50 56 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B725154400, 16 bytes long.
 Data: <(V %&#183;           > 28 56 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B725154D10, 16 bytes long.
 Data: < V %&#183;           > 00 56 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B725154A40, 16 bytes long.
 Data: <&#216;U %&#183;           > D8 55 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B7251547C0, 16 bytes long.
 Data: <&#176;U %&#183;           > B0 55 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B725154630, 16 bytes long.
 Data: <&#208;&#209; %&#183;           > D0 D1 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B72513D1D0, 40 bytes long.
 Data: <0F %&#183;    H&#233;&&#183;   > 30 46 15 25 B7 01 00 00 20 48 E9 26 B7 01 00 00 
{259} normal block at 0x000001B725154E50, 16 bytes long.
 Data: < U %&#183;           > 90 55 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B7251543B0, 16 bytes long.
 Data: <hU %&#183;           > 68 55 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B72514EEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001B725154A90, 16 bytes long.
 Data: <@U %&#183;           > 40 55 15 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B725155540, 992 bytes long.
 Data: < J %&#183;   &#240;&#238; %&#183;   > 90 4A 15 25 B7 01 00 00 F0 EE 14 25 B7 01 00 00 
{91} normal block at 0x000001B72514FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001B72514ECC0, 16 bytes long.
 Data: <&#160;&#219; %&#183;           > A0 DB 13 25 B7 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B72513DBA0, 40 bytes long.
 Data: <&#192;&#236; %&#183;   0&#250; %&#183;   > C0 EC 14 25 B7 01 00 00 30 FA 14 25 B7 01 00 00 
{68} normal block at 0x000001B72514E9F0, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B72514E590, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B72514E270, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B72514E7C0, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B72514E180, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B72514E770, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B72514ED10, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B72514DEB0, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B72514EA40, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B72514E540, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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