Task 38682265

Name test_628-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5475_1
Workunit 31623836
Created 27 Oct 2026, 7:11:10 UTC
Sent 27 Oct 2026, 7:11:19 UTC
Report deadline 1 Nov 2026, 7:11:19 UTC
Received 27 Oct 2026, 8:11:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 32 sec
CPU time 51 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.49 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
03:12:52 (38396): wrapper (7.9.26016): starting
03:12:52 (38396): 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
03:13:01 (38396): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:13:01 (38396): 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
04:10:40 (38396): C:/Windows/system32/cmd.exe exited; CPU time 3107.718750
04:10:40 (38396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 82918761 bytes.
Dumping objects ->
{3835500} normal block at 0x000001FCE5374250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001FCE5374720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001FCE53746B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001FCE5374640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001FCE53744F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001FCE6FCA200, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835412} normal block at 0x000001FCE536E910, 8 bytes long.
 Data: <  /&#229;&#252;   > 00 00 2F E5 FC 01 00 00 
{3833959} normal block at 0x000001FCE536EFA0, 8 bytes long.
 Data: <`;7&#229;&#252;   > 60 3B 37 E5 FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FCE5370250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FCE535F4B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001FCE5375EC0, 16 bytes long.
 Data: <Hc7&#229;&#252;           > 48 63 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FCE5375560, 16 bytes long.
 Data: < c7&#229;&#252;           > 20 63 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FCE536F420, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001FCE5375E70, 16 bytes long.
 Data: <&#248;b7&#229;&#252;           > F8 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FCE5375C40, 16 bytes long.
 Data: <&#208;b7&#229;&#252;           > D0 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FCE53754C0, 16 bytes long.
 Data: <&#168;b7&#229;&#252;           > A8 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FCE5375AB0, 16 bytes long.
 Data: < b7&#229;&#252;           > 80 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FCE5374800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001FCE5375290, 16 bytes long.
 Data: <&#232;&#180;5&#229;&#252;           > E8 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FCE536FF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001FCE5375920, 16 bytes long.
 Data: <&#192;&#180;5&#229;&#252;           > C0 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FCE5375100, 16 bytes long.
 Data: < &#180;5&#229;&#252;           > 98 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FCE5375E20, 16 bytes long.
 Data: <p&#180;5&#229;&#252;           > 70 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FCE5375BF0, 16 bytes long.
 Data: <H&#180;5&#229;&#252;           > 48 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FCE5375CE0, 16 bytes long.
 Data: < &#180;5&#229;&#252;           > 20 B4 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FCE53750B0, 16 bytes long.
 Data: <&#248;&#179;5&#229;&#252;           > F8 B3 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FCE536FD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001FCE5375510, 16 bytes long.
 Data: <&#208;&#179;5&#229;&#252;           > D0 B3 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FCE535B3D0, 320 bytes long.
 Data: < U7&#229;&#252;    &#253;6&#229;&#252;   > 10 55 37 E5 FC 01 00 00 80 FD 36 E5 FC 01 00 00 
{275} normal block at 0x000001FCE53758D0, 16 bytes long.
 Data: <`b7&#229;&#252;           > 60 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FCE5375FB0, 16 bytes long.
 Data: <8b7&#229;&#252;           > 38 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FCE536FB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001FCE5375F10, 16 bytes long.
 Data: < b7&#229;&#252;           > 10 62 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FCE536F8A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001FCE5375970, 16 bytes long.
 Data: <Xa7&#229;&#252;           > 58 61 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FCE5375060, 16 bytes long.
 Data: <0a7&#229;&#252;           > 30 61 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FCE53757E0, 16 bytes long.
 Data: < a7&#229;&#252;           > 08 61 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FCE5375DD0, 16 bytes long.
 Data: <&#224;`7&#229;&#252;           > E0 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FCE5375880, 16 bytes long.
 Data: <&#184;`7&#229;&#252;           > B8 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FCE5375A10, 16 bytes long.
 Data: < `7&#229;&#252;           > 90 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FCE5375790, 16 bytes long.
 Data: <pA7&#229;&#252;           > 70 41 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FCE5374170, 40 bytes long.
 Data: < W7&#229;&#252;    &#162;&#252;&#230;&#252;   > 90 57 37 E5 FC 01 00 00 00 A2 FC E6 FC 01 00 00 
{261} normal block at 0x000001FCE5375830, 16 bytes long.
 Data: <p`7&#229;&#252;           > 70 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FCE5375740, 16 bytes long.
 Data: <H`7&#229;&#252;           > 48 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FCE5370020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001FCE5375F60, 16 bytes long.
 Data: < `7&#229;&#252;           > 20 60 37 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FCE5376020, 992 bytes long.
 Data: <`_7&#229;&#252;     7&#229;&#252;   > 60 5F 37 E5 FC 01 00 00 20 00 37 E5 FC 01 00 00 
{93} normal block at 0x000001FCE536FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001FCE536E5F0, 16 bytes long.
 Data: < &#254;5&#229;&#252;           > 20 FE 35 E5 FC 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FCE535FE20, 40 bytes long.
 Data: <&#240;&#229;6&#229;&#252;    &#250;6&#229;&#252;   > F0 E5 36 E5 FC 01 00 00 80 FA 36 E5 FC 01 00 00 
{70} normal block at 0x000001FCE536E280, 16 bytes long.
 Data: < &#234;:&#177;&#246;           > 80 EA 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FCE536E8C0, 16 bytes long.
 Data: <@&#233;:&#177;&#246;           > 40 E9 3A B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FCE536E6E0, 16 bytes long.
 Data: <&#248;W7&#177;&#246;           > F8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FCE536EA00, 16 bytes long.
 Data: <&#216;W7&#177;&#246;           > D8 57 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FCE536EF50, 16 bytes long.
 Data: <P 7&#177;&#246;           > 50 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FCE536E960, 16 bytes long.
 Data: <0 7&#177;&#246;           > 30 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FCE536E820, 16 bytes long.
 Data: <&#224; 7&#177;&#246;           > E0 02 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FCE536E3C0, 16 bytes long.
 Data: <  7&#177;&#246;           > 10 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FCE536ED20, 16 bytes long.
 Data: <p 7&#177;&#246;           > 70 04 37 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FCE536E410, 16 bytes long.
 Data: < &#192;5&#177;&#246;           > 18 C0 35 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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