Task 38687590

Name test_848-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2410_0
Workunit 31628975
Created 28 Oct 2026, 8:38:07 UTC
Sent 28 Oct 2026, 8:38:12 UTC
Report deadline 2 Nov 2026, 8:38:12 UTC
Received 28 Oct 2026, 10:12:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 54 sec
CPU time 56 min 41 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 698.23 MB
Peak swap size 9.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:11:02 (13212): wrapper (7.9.26016): starting
09:11:02 (13212): 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
09:11:03 (13212): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:11:03 (13212): 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:\BOINCdata\slots\1\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:\BOINCdata\slots\1\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
10:07:09 (13212): C:/Windows/system32/cmd.exe exited; CPU time 3401.593750
10:07:09 (13212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 40033073 bytes.
Dumping objects ->
{3835233} normal block at 0x000002071DFD60A0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x000002071FCD3F80, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x000002071FCD4280, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x000002071FCD4AC0, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x000002071FCD39E0, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x000002071DFD6570, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x000002071DFA83A0, 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) : {3835144} normal block at 0x000002071DFA6FF0, 8 bytes long.
 Data: <  &#241;     > 00 00 F1 1D 07 02 00 00 
{3834547} normal block at 0x000002071DFA87E0, 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 0x000002071DFA6E60, 8 bytes long.
 Data: <P&#170;&#249;     > 50 AA F9 1D 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002071DFB1300, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002071DFAC1F0, 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 0x000002071DFB2A70, 16 bytes long.
 Data: <85&#251;             > 38 35 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002071DFB2A20, 16 bytes long.
 Data: < 5&#251;             > 10 35 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002071DFAD000, 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 0x000002071DFB2430, 16 bytes long.
 Data: <&#232;4&#251;             > E8 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002071DFB29D0, 16 bytes long.
 Data: <&#192;4&#251;             > C0 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002071DFB2B60, 16 bytes long.
 Data: < 4&#251;             > 98 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002071DFB2840, 16 bytes long.
 Data: <p4&#251;             > 70 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002071DFAB360, 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 0x000002071DFB2930, 16 bytes long.
 Data: < &#193;&#250;             > 88 C1 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002071DFACA00, 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 0x000002071DFB27F0, 16 bytes long.
 Data: <`&#193;&#250;             > 60 C1 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002071DFB2E80, 16 bytes long.
 Data: <8&#193;&#250;             > 38 C1 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002071DFB2DE0, 16 bytes long.
 Data: < &#193;&#250;             > 10 C1 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002071DFB2980, 16 bytes long.
 Data: <&#232;&#192;&#250;             > E8 C0 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002071DFB3150, 16 bytes long.
 Data: <&#192;&#192;&#250;             > C0 C0 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002071DFB2D40, 16 bytes long.
 Data: < &#192;&#250;             > 98 C0 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002071DFAD060, 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 0x000002071DFB2C00, 16 bytes long.
 Data: <p&#192;&#250;             > 70 C0 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002071DFAC070, 320 bytes long.
 Data: < ,&#251;     `&#208;&#250;     > 00 2C FB 1D 07 02 00 00 60 D0 FA 1D 07 02 00 00 
{269} normal block at 0x000002071DFB30B0, 16 bytes long.
 Data: <P4&#251;             > 50 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002071DFB23E0, 16 bytes long.
 Data: <(4&#251;             > 28 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002071DFACCA0, 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 0x000002071DFB28E0, 16 bytes long.
 Data: < 4&#251;             > 00 34 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002071DFACEE0, 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 0x000002071DFB2D90, 16 bytes long.
 Data: <H3&#251;             > 48 33 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002071DFB2750, 16 bytes long.
 Data: < 3&#251;             > 20 33 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002071DFB2B10, 16 bytes long.
 Data: <&#248;2&#251;             > F8 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002071DFB2570, 16 bytes long.
 Data: <&#208;2&#251;             > D0 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002071DFB2E30, 16 bytes long.
 Data: <&#168;2&#251;             > A8 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002071DFB2390, 16 bytes long.
 Data: < 2&#251;             > 80 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002071DFB2C50, 16 bytes long.
 Data: <&#240;&#178;&#250;             > F0 B2 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002071DFAB2F0, 40 bytes long.
 Data: <P,&#251;     pe&#253;     > 50 2C FB 1D 07 02 00 00 70 65 FD 1D 07 02 00 00 
{255} normal block at 0x000002071DFB2890, 16 bytes long.
 Data: <`2&#251;             > 60 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002071DFB2CF0, 16 bytes long.
 Data: <82&#251;             > 38 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002071DFAC940, 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 0x000002071DFB22F0, 16 bytes long.
 Data: < 2&#251;             > 10 32 FB 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002071DFB3210, 992 bytes long.
 Data: <&#240;"&#251;     @&#201;&#250;     > F0 22 FB 1D 07 02 00 00 40 C9 FA 1D 07 02 00 00 
{87} normal block at 0x000002071DFACD60, 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 0x000002071DFA67D0, 16 bytes long.
 Data: <&#208;&#179;&#250;             > D0 B3 FA 1D 07 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002071DFAB3D0, 40 bytes long.
 Data: <&#208;g&#250;     `&#205;&#250;     > D0 67 FA 1D 07 02 00 00 60 CD FA 1D 07 02 00 00 
{64} normal block at 0x000002071DFA6640, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002071DFA6500, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002071DFA6B40, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002071DFA6870, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002071DFA6410, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002071DFA6E10, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002071DFA6D70, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002071DFA6910, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002071DFA70E0, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002071DFA6D20, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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