Task 38689022

Name test_13-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2797_0
Workunit 31630308
Created 28 Oct 2026, 17:44:48 UTC
Sent 28 Oct 2026, 17:44:50 UTC
Report deadline 2 Nov 2026, 17:44:50 UTC
Received 28 Oct 2026, 18:14:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 24 min 37 sec
CPU time 23 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.85 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:49:32 (5496): wrapper (7.9.26016): starting
18:49:32 (5496): 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
18:49:33 (5496): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:49:33 (5496): 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\1\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\1\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
19:13:32 (5496): C:/Windows/system32/cmd.exe exited; CPU time 1404.703125
19:13:32 (5496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 20673996 bytes.
Dumping objects ->
{3835554} normal block at 0x0000024AD9EBFF20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x0000024AD82272E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000024AD82270B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x0000024AD82274A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000024AD8227040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x0000024AD9F0D350, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000024AD820C9D0, 83 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) : {3835465} normal block at 0x0000024AD821E290, 8 bytes long.
 Data: <  &#199;&#217;J   > 00 00 C7 D9 4A 02 00 00 
{3834684} normal block at 0x0000024AD820C550, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000024AD821ED30, 8 bytes long.
 Data: <&#208;h"&#216;J   > D0 68 22 D8 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024AD82206C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024AD820C820, 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 0x0000024AD82284D0, 16 bytes long.
 Data: <&#232;&#140;"&#216;J           > E8 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024AD8228070, 16 bytes long.
 Data: <&#192;&#140;"&#216;J           > C0 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024AD821F490, 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 0x0000024AD82282A0, 16 bytes long.
 Data: < &#140;"&#216;J           > 98 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024AD8228390, 16 bytes long.
 Data: <p&#140;"&#216;J           > 70 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024AD8227FD0, 16 bytes long.
 Data: <H&#140;"&#216;J           > 48 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024AD8227F80, 16 bytes long.
 Data: < &#140;"&#216;J           > 20 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024AD8227120, 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 0x0000024AD82285C0, 16 bytes long.
 Data: <8  &#216;J           > 38 FF 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AD821F1F0, 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 0x0000024AD8227DA0, 16 bytes long.
 Data: <   &#216;J           > 10 FF 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024AD8228250, 16 bytes long.
 Data: <&#232;&#254; &#216;J           > E8 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024AD8227CB0, 16 bytes long.
 Data: <&#192;&#254; &#216;J           > C0 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024AD8227C10, 16 bytes long.
 Data: < &#254; &#216;J           > 98 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024AD82283E0, 16 bytes long.
 Data: <p&#254; &#216;J           > 70 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024AD8227B20, 16 bytes long.
 Data: <H&#254; &#216;J           > 48 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024AD821F190, 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 0x0000024AD8227BC0, 16 bytes long.
 Data: < &#254; &#216;J           > 20 FE 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024AD820FE20, 320 bytes long.
 Data: <&#192;{"&#216;J    &#241;!&#216;J   > C0 7B 22 D8 4A 02 00 00 90 F1 21 D8 4A 02 00 00 
{274} normal block at 0x0000024AD8228020, 16 bytes long.
 Data: < &#140;"&#216;J           > 00 8C 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024AD8227E40, 16 bytes long.
 Data: <&#216;&#139;"&#216;J           > D8 8B 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024AD821F910, 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 0x0000024AD8227A30, 16 bytes long.
 Data: <&#176;&#139;"&#216;J           > B0 8B 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AD821F850, 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 0x0000024AD8227990, 16 bytes long.
 Data: <&#248;&#138;"&#216;J           > F8 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024AD8227F30, 16 bytes long.
 Data: <&#208;&#138;"&#216;J           > D0 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024AD8227C60, 16 bytes long.
 Data: <&#168;&#138;"&#216;J           > A8 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024AD82278F0, 16 bytes long.
 Data: < &#138;"&#216;J           > 80 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024AD8228340, 16 bytes long.
 Data: <X&#138;"&#216;J           > 58 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024AD8227D50, 16 bytes long.
 Data: <0&#138;"&#216;J           > 30 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024AD8227B70, 16 bytes long.
 Data: < u"&#216;J           > 80 75 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024AD8227580, 40 bytes long.
 Data: <p{"&#216;J   P&#211;&#240;&#217;J   > 70 7B 22 D8 4A 02 00 00 50 D3 F0 D9 4A 02 00 00 
{260} normal block at 0x0000024AD8227DF0, 16 bytes long.
 Data: < &#138;"&#216;J           > 10 8A 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024AD8227AD0, 16 bytes long.
 Data: <&#232;&#137;"&#216;J           > E8 89 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024AD821FA90, 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 0x0000024AD8227EE0, 16 bytes long.
 Data: <&#192;&#137;"&#216;J           > C0 89 22 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024AD82289C0, 992 bytes long.
 Data: <&#224;~"&#216;J    &#250;!&#216;J   > E0 7E 22 D8 4A 02 00 00 90 FA 21 D8 4A 02 00 00 
{92} normal block at 0x0000024AD821F250, 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 0x0000024AD821EF10, 16 bytes long.
 Data: < &#237; &#216;J           > 80 ED 20 D8 4A 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024AD820ED80, 40 bytes long.
 Data: < &#239;!&#216;J   P&#242;!&#216;J   > 10 EF 21 D8 4A 02 00 00 50 F2 21 D8 4A 02 00 00 
{69} normal block at 0x0000024AD821E8D0, 16 bytes long.
 Data: < &#234;&#130;&#134;&#247;           > 80 EA 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024AD821E330, 16 bytes long.
 Data: <@&#233;&#130;&#134;&#247;           > 40 E9 82 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024AD821EA10, 16 bytes long.
 Data: <&#248;W &#134;&#247;           > F8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024AD821E4C0, 16 bytes long.
 Data: <&#216;W &#134;&#247;           > D8 57 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AD821E240, 16 bytes long.
 Data: <P  &#134;&#247;           > 50 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024AD821EE70, 16 bytes long.
 Data: <0  &#134;&#247;           > 30 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024AD821E2E0, 16 bytes long.
 Data: <&#224;  &#134;&#247;           > E0 02 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024AD821EB50, 16 bytes long.
 Data: <   &#134;&#247;           > 10 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024AD821E470, 16 bytes long.
 Data: <p  &#134;&#247;           > 70 04 7F 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024AD821EC40, 16 bytes long.
 Data: < &#192;}&#134;&#247;           > 18 C0 7D 86 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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