Task 38697028

Name test_571-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2046_0
Workunit 31637632
Created 1 Nov 2026, 7:55:11 UTC
Sent 1 Nov 2026, 7:55:16 UTC
Report deadline 6 Nov 2026, 7:55:16 UTC
Received 1 Nov 2026, 8:43:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624991
Run time 33 min 57 sec
CPU time 30 min 45 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 729.74 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:09:42 (34844): wrapper (7.9.26016): starting
16:09:42 (34844): 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
16:09:43 (34844): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:09:43 (34844): 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:\ProgramData\BOINC\slots\3\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:\ProgramData\BOINC\slots\3\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
16:42:45 (34844): C:/Windows/system32/cmd.exe exited; CPU time 1845.609375
16:42:45 (34844): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 41429187 bytes.
Dumping objects ->
{3835282} normal block at 0x0000024546DEDDC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x00000245450959A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x00000245450957E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000024545095690, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000245450958C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x0000024546E3C280, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000245450EB6A0, 145 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) : {3835193} normal block at 0x000002454508EE20, 8 bytes long.
 Data: <  nEE   > 00 00 6E 45 45 02 00 00 
{3834574} normal block at 0x00000245450EBB80, 145 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 0x000002454508EE70, 8 bytes long.
 Data: <&#192;&#198; EE   > C0 C6 0B 45 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000245450874E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024545088440, 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 0x0000024545096710, 16 bytes long.
 Data: <&#168;t	EE           > A8 74 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024545097020, 16 bytes long.
 Data: < t	EE           > 80 74 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024545091530, 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 0x0000024545096210, 16 bytes long.
 Data: <Xt	EE           > 58 74 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024545096C10, 16 bytes long.
 Data: <0t	EE           > 30 74 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024545096D50, 16 bytes long.
 Data: < t	EE           > 08 74 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024545096800, 16 bytes long.
 Data: <&#224;s	EE           > E0 73 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024545095C40, 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 0x0000024545096940, 16 bytes long.
 Data: < &#208; EE           > 08 D0 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024545091590, 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 0x0000024545096A80, 16 bytes long.
 Data: <&#224;&#207; EE           > E0 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024545096670, 16 bytes long.
 Data: <&#184;&#207; EE           > B8 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000245450970C0, 16 bytes long.
 Data: < &#207; EE           > 90 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024545096580, 16 bytes long.
 Data: <h&#207; EE           > 68 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024545096620, 16 bytes long.
 Data: <@&#207; EE           > 40 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024545096530, 16 bytes long.
 Data: < &#207; EE           > 18 CF 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024545091830, 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 0x00000245450968A0, 16 bytes long.
 Data: <&#240;&#206; EE           > F0 CE 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002454507CEF0, 320 bytes long.
 Data: <&#160;h	EE   0 	EE   > A0 68 09 45 45 02 00 00 30 18 09 45 45 02 00 00 
{273} normal block at 0x00000245450961C0, 16 bytes long.
 Data: <&#192;s	EE           > C0 73 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024545096BC0, 16 bytes long.
 Data: < s	EE           > 98 73 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000245450910B0, 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 0x0000024545096490, 16 bytes long.
 Data: <ps	EE           > 70 73 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024545091410, 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 0x00000245450962B0, 16 bytes long.
 Data: <&#184;r	EE           > B8 72 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000245450966C0, 16 bytes long.
 Data: < r	EE           > 90 72 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000245450964E0, 16 bytes long.
 Data: <hr	EE           > 68 72 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024545096B70, 16 bytes long.
 Data: <@r	EE           > 40 72 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024545096D00, 16 bytes long.
 Data: < r	EE           > 18 72 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024545096EE0, 16 bytes long.
 Data: <&#240;q	EE           > F0 71 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024545096AD0, 16 bytes long.
 Data: < W	EE           > 00 57 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024545095700, 40 bytes long.
 Data: <&#208;j	EE    &#194;&#227;FE   > D0 6A 09 45 45 02 00 00 80 C2 E3 46 45 02 00 00 
{259} normal block at 0x0000024545096300, 16 bytes long.
 Data: <&#208;q	EE           > D0 71 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000245450963A0, 16 bytes long.
 Data: <&#168;q	EE           > A8 71 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000245450917D0, 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 0x0000024545096B20, 16 bytes long.
 Data: < q	EE           > 80 71 09 45 45 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024545097180, 992 bytes long.
 Data: < k	EE   &#208; 	EE   > 20 6B 09 45 45 02 00 00 D0 17 09 45 45 02 00 00 
{91} normal block at 0x0000024545091170, 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 0x000002454508EB50, 16 bytes long.
 Data: < &#235; EE           > 00 EB 07 45 45 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002454507EB00, 40 bytes long.
 Data: <P&#235; EE   p 	EE   > 50 EB 08 45 45 02 00 00 70 11 09 45 45 02 00 00 
{68} normal block at 0x000002454508F050, 16 bytes long.
 Data: < &#234;&#147;N&#246;           > 80 EA 93 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002454508EF60, 16 bytes long.
 Data: <@&#233;&#147;N&#246;           > 40 E9 93 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002454508EC90, 16 bytes long.
 Data: <&#248;W N&#246;           > F8 57 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002454508F230, 16 bytes long.
 Data: <&#216;W N&#246;           > D8 57 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002454508F820, 16 bytes long.
 Data: <P  N&#246;           > 50 04 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002454508F460, 16 bytes long.
 Data: <0  N&#246;           > 30 04 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002454508F1E0, 16 bytes long.
 Data: <&#224;  N&#246;           > E0 02 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002454508EB00, 16 bytes long.
 Data: <   N&#246;           > 10 04 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002454508ED30, 16 bytes long.
 Data: <p  N&#246;           > 70 04 90 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002454508ED80, 16 bytes long.
 Data: < &#192;&#142;N&#246;           > 18 C0 8E 4E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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