Task 38694770

Name test_732-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND6387_0
Workunit 31635504
Created 31 Oct 2026, 2:03:29 UTC
Sent 31 Oct 2026, 2:03:31 UTC
Report deadline 5 Nov 2026, 2:03:31 UTC
Received 31 Oct 2026, 4:08:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 52 min 53 sec
CPU time 52 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.91 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
03:14:42 (8508): wrapper (7.9.26016): starting
03:14:42 (8508): 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
03:14:43 (8508): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:14:43 (8508): 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\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 'D:\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
04:06:59 (8508): C:/Windows/system32/cmd.exe exited; CPU time 3129.468750
04:06:59 (8508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36685571 bytes.
Dumping objects ->
{3835313} normal block at 0x0000019AD20E48E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x0000019AD20E4480, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000019AD20E4E20, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x0000019AD043B710, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x0000019AD043B6A0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x0000019AD1FFB520, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000019AD0439280, 200 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) : {3835224} normal block at 0x0000019AD0436840, 8 bytes long.
 Data: <  &#218;&#209;&#154;   > 00 00 DA D1 9A 01 00 00 
{3834581} normal block at 0x0000019AD0439D20, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000019AD0437100, 8 bytes long.
 Data: < ;K&#208;&#154;   > 80 3B 4B D0 9A 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000019AD04410E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019AD043C370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000019AD0442D00, 16 bytes long.
 Data: < 7D&#208;&#154;           > 88 37 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019AD0442580, 16 bytes long.
 Data: <`7D&#208;&#154;           > 60 37 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019AD043CAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000019AD0442DF0, 16 bytes long.
 Data: <87D&#208;&#154;           > 38 37 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019AD0442530, 16 bytes long.
 Data: < 7D&#208;&#154;           > 10 37 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019AD04428F0, 16 bytes long.
 Data: <&#232;6D&#208;&#154;           > E8 36 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019AD0442CB0, 16 bytes long.
 Data: <&#192;6D&#208;&#154;           > C0 36 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019AD043B780, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000019AD04424E0, 16 bytes long.
 Data: < &#195;C&#208;&#154;           > 08 C3 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019AD043CF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000019AD04423A0, 16 bytes long.
 Data: <&#224;&#194;C&#208;&#154;           > E0 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019AD0442990, 16 bytes long.
 Data: <&#184;&#194;C&#208;&#154;           > B8 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019AD04425D0, 16 bytes long.
 Data: < &#194;C&#208;&#154;           > 90 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019AD0441EF0, 16 bytes long.
 Data: <h&#194;C&#208;&#154;           > 68 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019AD04427B0, 16 bytes long.
 Data: <@&#194;C&#208;&#154;           > 40 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019AD0442B70, 16 bytes long.
 Data: < &#194;C&#208;&#154;           > 18 C2 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019AD043C630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000019AD04429E0, 16 bytes long.
 Data: <&#240;&#193;C&#208;&#154;           > F0 C1 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019AD043C1F0, 320 bytes long.
 Data: <&#224;)D&#208;&#154;   0&#198;C&#208;&#154;   > E0 29 44 D0 9A 01 00 00 30 C6 43 D0 9A 01 00 00 
{269} normal block at 0x0000019AD0442DA0, 16 bytes long.
 Data: <&#160;6D&#208;&#154;           > A0 36 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019AD0441F40, 16 bytes long.
 Data: <x6D&#208;&#154;           > 78 36 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019AD043D170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000019AD0442850, 16 bytes long.
 Data: <P6D&#208;&#154;           > 50 36 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019AD043C4B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000019AD0442760, 16 bytes long.
 Data: < 5D&#208;&#154;           > 98 35 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019AD0442BC0, 16 bytes long.
 Data: <p5D&#208;&#154;           > 70 35 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019AD0442350, 16 bytes long.
 Data: <H5D&#208;&#154;           > 48 35 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019AD0442490, 16 bytes long.
 Data: < 5D&#208;&#154;           > 20 35 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019AD04422B0, 16 bytes long.
 Data: <&#248;4D&#208;&#154;           > F8 34 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019AD04426C0, 16 bytes long.
 Data: <&#208;4D&#208;&#154;           > D0 34 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019AD0442440, 16 bytes long.
 Data: <P&#181;C&#208;&#154;           > 50 B5 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019AD043B550, 40 bytes long.
 Data: <@$D&#208;&#154;    &#181;&#255;&#209;&#154;   > 40 24 44 D0 9A 01 00 00 20 B5 FF D1 9A 01 00 00 
{255} normal block at 0x0000019AD0442710, 16 bytes long.
 Data: <&#176;4D&#208;&#154;           > B0 34 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019AD0442C60, 16 bytes long.
 Data: < 4D&#208;&#154;           > 88 34 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019AD043CB10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000019AD04423F0, 16 bytes long.
 Data: <`4D&#208;&#154;           > 60 34 44 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000019AD0443460, 992 bytes long.
 Data: <&#240;#D&#208;&#154;    &#203;C&#208;&#154;   > F0 23 44 D0 9A 01 00 00 10 CB 43 D0 9A 01 00 00 
{87} normal block at 0x0000019AD043D290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000019AD0436980, 16 bytes long.
 Data: <&#224;&#180;C&#208;&#154;           > E0 B4 43 D0 9A 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000019AD043B4E0, 40 bytes long.
 Data: < iC&#208;&#154;    &#210;C&#208;&#154;   > 80 69 43 D0 9A 01 00 00 90 D2 43 D0 9A 01 00 00 
{64} normal block at 0x0000019AD0437010, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019AD0436340, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019AD0436CA0, 16 bytes long.
 Data: <&#248;W&#254; &#247;           > F8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019AD0436570, 16 bytes long.
 Data: <&#216;W&#254; &#247;           > D8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019AD04362F0, 16 bytes long.
 Data: <P &#254; &#247;           > 50 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019AD0436700, 16 bytes long.
 Data: <0 &#254; &#247;           > 30 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019AD0436B60, 16 bytes long.
 Data: <&#224; &#254; &#247;           > E0 02 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019AD04369D0, 16 bytes long.
 Data: <  &#254; &#247;           > 10 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019AD0436660, 16 bytes long.
 Data: <p &#254; &#247;           > 70 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000019AD04367F0, 16 bytes long.
 Data: < &#192;&#252; &#247;           > 18 C0 FC 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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