Task 38673403

Name test_78-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3388_0
Workunit 31615487
Created 26 Oct 2026, 2:18:11 UTC
Sent 26 Oct 2026, 2:18:19 UTC
Report deadline 31 Oct 2026, 2:18:19 UTC
Received 26 Oct 2026, 2:45:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 26 min 6 sec
CPU time 25 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 795.58 MB
Peak swap size 25.13 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:19:33 (58832): wrapper (7.9.26016): starting
21:19:33 (58832): 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
21:19:34 (58832): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:19:34 (58832): 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\125\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\125\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
21:44:34 (58832): C:/Windows/system32/cmd.exe exited; CPU time 1510.031250
21:44:34 (58832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46921233 bytes.
Dumping objects ->
{3835321} normal block at 0x0000025E99F15BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x0000025E99F16210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x0000025E99F162F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x0000025E99F159C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000025E99F16280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x0000025E99F1CD80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000025E99F7E5D0, 102 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) : {3835232} normal block at 0x0000025E980C03E0, 8 bytes long.
 Data: <    ^   > 00 00 03 98 5E 02 00 00 
{3834580} normal block at 0x0000025E99F7EF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000025E980C0700, 8 bytes long.
 Data: <&#176;R&#252; ^   > B0 52 FC 99 5E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025E980B6640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025E980B70A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000025E980C5D40, 16 bytes long.
 Data: <Hi  ^           > 48 69 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025E980C5D90, 16 bytes long.
 Data: < i  ^           > 20 69 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025E980C1440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000025E980C6510, 16 bytes long.
 Data: <&#248;h  ^           > F8 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025E980C6150, 16 bytes long.
 Data: <&#208;h  ^           > D0 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025E980C5F20, 16 bytes long.
 Data: <&#168;h  ^           > A8 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025E980C57A0, 16 bytes long.
 Data: < h  ^           > 80 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025E980C37E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000025E980C5B60, 16 bytes long.
 Data: <x&#250;  ^           > 78 FA 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025E980C0AE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000025E980C5FC0, 16 bytes long.
 Data: <P&#250;  ^           > 50 FA 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025E980C5B10, 16 bytes long.
 Data: <(&#250;  ^           > 28 FA 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025E980C6470, 16 bytes long.
 Data: < &#250;  ^           > 00 FA 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025E980C5AC0, 16 bytes long.
 Data: <&#216;&#249;  ^           > D8 F9 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025E980C6420, 16 bytes long.
 Data: <&#176;&#249;  ^           > B0 F9 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025E980C5840, 16 bytes long.
 Data: < &#249;  ^           > 88 F9 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025E980C0A20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000025E980C5DE0, 16 bytes long.
 Data: <`&#249;  ^           > 60 F9 0A 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025E980AF960, 320 bytes long.
 Data: <&#224;]  ^       ^   > E0 5D 0C 98 5E 02 00 00 20 0A 0C 98 5E 02 00 00 
{277} normal block at 0x0000025E980C6290, 16 bytes long.
 Data: <`h  ^           > 60 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025E980C65B0, 16 bytes long.
 Data: <8h  ^           > 38 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025E980C1380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000025E980C5A70, 16 bytes long.
 Data: < h  ^           > 10 68 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025E980C12C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000025E980C6330, 16 bytes long.
 Data: <Xg  ^           > 58 67 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025E980C5C00, 16 bytes long.
 Data: <0g  ^           > 30 67 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025E980C63D0, 16 bytes long.
 Data: < g  ^           > 08 67 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025E980C5CF0, 16 bytes long.
 Data: <&#224;f  ^           > E0 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025E980C64C0, 16 bytes long.
 Data: <&#184;f  ^           > B8 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025E980C5E80, 16 bytes long.
 Data: < f  ^           > 90 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025E980C5BB0, 16 bytes long.
 Data: <@<  ^           > 40 3C 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025E980C3C40, 40 bytes long.
 Data: <&#176;[  ^    &#205;&#241; ^   > B0 5B 0C 98 5E 02 00 00 80 CD F1 99 5E 02 00 00 
{263} normal block at 0x0000025E980C5C50, 16 bytes long.
 Data: <pf  ^           > 70 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025E980C5CA0, 16 bytes long.
 Data: <Hf  ^           > 48 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025E980C1320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000025E980C6380, 16 bytes long.
 Data: < f  ^           > 20 66 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025E980C6620, 992 bytes long.
 Data: < c  ^       ^   > 80 63 0C 98 5E 02 00 00 20 13 0C 98 5E 02 00 00 
{95} normal block at 0x0000025E980C1620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000025E980C0070, 16 bytes long.
 Data: < :  ^           > 80 3A 0C 98 5E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000025E980C3A80, 40 bytes long.
 Data: <p   ^       ^   > 70 00 0C 98 5E 02 00 00 20 16 0C 98 5E 02 00 00 
{72} normal block at 0x0000025E980BFA80, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025E980C05C0, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025E980BFFD0, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025E980C0390, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025E980BFE40, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025E980C0660, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025E980BFF80, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025E980BFD50, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025E980C07A0, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025E980C00C0, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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