Task 38676600

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8877_0
Workunit 31618503
Created 26 Oct 2026, 11:48:11 UTC
Sent 26 Oct 2026, 11:48:15 UTC
Report deadline 31 Oct 2026, 11:48:15 UTC
Received 26 Oct 2026, 14:39:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 36 min
CPU time 32 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.69 MB
Peak swap size 3.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:02:11 (29888): wrapper (7.9.26016): starting
13:02:11 (29888): 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
13:02:14 (29888): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:02:14 (29888): 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 'E:\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 'E:\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
13:35:57 (29888): C:/Windows/system32/cmd.exe exited; CPU time 1964.234375
13:35:57 (29888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 37674731 bytes.
Dumping objects ->
{3835197} normal block at 0x0000019D3B87EC60, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x0000019D3D3A5120, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x0000019D3D3A4E20, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x0000019D3D3A60E0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x0000019D3D3A5CC0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x0000019D3B87F050, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x0000019D3B8786A0, 8 bytes long.
 Data: <  %=    > 00 00 25 3D 9D 01 00 00 
{3833953} normal block at 0x0000019D3B878AB0, 8 bytes long.
 Data: <&#240;&#193;:=    > F0 C1 3A 3D 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019D3B8823E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019D3B87E680, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000019D3B883E20, 16 bytes long.
 Data: < F ;            > 88 46 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019D3B883AB0, 16 bytes long.
 Data: <`F ;            > 60 46 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019D3B87D580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000019D3B883A60, 16 bytes long.
 Data: <8F ;            > 38 46 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019D3B883DD0, 16 bytes long.
 Data: < F ;            > 10 46 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019D3B883880, 16 bytes long.
 Data: <&#232;E ;            > E8 45 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019D3B883740, 16 bytes long.
 Data: <&#192;E ;            > C0 45 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019D3B87EE20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000019D3B8836F0, 16 bytes long.
 Data: <&#216;`&#134;;            > D8 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019D3B87D520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000019D3B883F60, 16 bytes long.
 Data: <&#176;`&#134;;            > B0 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019D3B883830, 16 bytes long.
 Data: < `&#134;;            > 88 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019D3B8835B0, 16 bytes long.
 Data: <``&#134;;            > 60 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019D3B883560, 16 bytes long.
 Data: <8`&#134;;            > 38 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019D3B883510, 16 bytes long.
 Data: < `&#134;;            > 10 60 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019D3B883CE0, 16 bytes long.
 Data: <&#232;_&#134;;            > E8 5F 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019D3B87D4C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000019D3B883420, 16 bytes long.
 Data: <&#192;_&#134;;            > C0 5F 86 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019D3B865FC0, 320 bytes long.
 Data: < 4 ;    &#192;&#212;&#135;;    > 20 34 88 3B 9D 01 00 00 C0 D4 87 3B 9D 01 00 00 
{272} normal block at 0x0000019D3B8833D0, 16 bytes long.
 Data: <&#160;E ;            > A0 45 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019D3B8836A0, 16 bytes long.
 Data: <xE ;            > 78 45 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019D3B87D820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000019D3B883330, 16 bytes long.
 Data: <PE ;            > 50 45 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019D3B87D0A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000019D3B8832E0, 16 bytes long.
 Data: < D ;            > 98 44 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019D3B8837E0, 16 bytes long.
 Data: <pD ;            > 70 44 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019D3B883EC0, 16 bytes long.
 Data: <HD ;            > 48 44 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019D3B8834C0, 16 bytes long.
 Data: < D ;            > 20 44 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019D3B883FB0, 16 bytes long.
 Data: <&#248;C ;            > F8 43 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019D3B883290, 16 bytes long.
 Data: <&#208;C ;            > D0 43 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019D3B883970, 16 bytes long.
 Data: <&#208;&#236;&#135;;            > D0 EC 87 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019D3B87ECD0, 40 bytes long.
 Data: <p9 ;    P&#240;&#135;;    > 70 39 88 3B 9D 01 00 00 50 F0 87 3B 9D 01 00 00 
{258} normal block at 0x0000019D3B883240, 16 bytes long.
 Data: <&#176;C ;            > B0 43 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019D3B883C90, 16 bytes long.
 Data: < C ;            > 88 43 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019D3B87D9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000019D3B883650, 16 bytes long.
 Data: <`C ;            > 60 43 88 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019D3B884360, 992 bytes long.
 Data: <P6 ;    &#160;&#217;&#135;;    > 50 36 88 3B 9D 01 00 00 A0 D9 87 3B 9D 01 00 00 
{90} normal block at 0x0000019D3B87D700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000019D3B878330, 16 bytes long.
 Data: <@&#237;&#135;;            > 40 ED 87 3B 9D 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000019D3B87ED40, 40 bytes long.
 Data: <0&#131;&#135;;     &#215;&#135;;    > 30 83 87 3B 9D 01 00 00 00 D7 87 3B 9D 01 00 00 
{67} normal block at 0x0000019D3B878240, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019D3B878C90, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019D3B8789C0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019D3B8782E0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019D3B8781F0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019D3B878EC0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019D3B878BA0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019D3B878B00, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019D3B8784C0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019D3B878BF0, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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