Task 38695832

Name test_619-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4484_0
Workunit 31636508
Created 31 Oct 2026, 15:58:14 UTC
Sent 31 Oct 2026, 15:58:16 UTC
Report deadline 5 Nov 2026, 15:58:16 UTC
Received 31 Oct 2026, 16:55:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 55 min 16 sec
CPU time 49 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.51 MB
Peak swap size 3.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
17:00:15 (7664): wrapper (7.9.26016): starting
17:00:15 (7664): 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
17:00:17 (7664): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:00:17 (7664): 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\5\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\5\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
17:53:44 (7664): C:/Windows/system32/cmd.exe exited; CPU time 2992.984375
17:53:45 (7664): 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: 36988015 bytes.
Dumping objects ->
{3835245} normal block at 0x000002D12CFC12F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002D12CFC16E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002D12CFC1C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002D12CFC1130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002D12CFC10C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002D12D0B2560, 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) : {3835157} normal block at 0x000002D12B5511F0, 8 bytes long.
 Data: <  N+&#209;   > 00 00 4E 2B D1 02 00 00 
{3833945} normal block at 0x000002D12B551510, 8 bytes long.
 Data: <0&#253; -&#209;   > 30 FD 10 2D D1 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002D12B551820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D12B53DAE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002D12B546B00, 16 bytes long.
 Data: <H*U+&#209;           > 48 2A 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D12B546920, 16 bytes long.
 Data: < *U+&#209;           > 20 2A 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D12B54CF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002D12B547870, 16 bytes long.
 Data: <&#248;)U+&#209;           > F8 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D12B5475A0, 16 bytes long.
 Data: <&#208;)U+&#209;           > D0 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D12B547550, 16 bytes long.
 Data: <&#168;)U+&#209;           > A8 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D12B547820, 16 bytes long.
 Data: < )U+&#209;           > 80 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D12B54B5B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002D12B547500, 16 bytes long.
 Data: <&#232;&#194;S+&#209;           > E8 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D12B54D0F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002D12B5474B0, 16 bytes long.
 Data: <&#192;&#194;S+&#209;           > C0 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D12B547410, 16 bytes long.
 Data: < &#194;S+&#209;           > 98 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D12B546E20, 16 bytes long.
 Data: <p&#194;S+&#209;           > 70 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D12B547730, 16 bytes long.
 Data: <H&#194;S+&#209;           > 48 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D12B551290, 16 bytes long.
 Data: < &#194;S+&#209;           > 20 C2 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D12B551240, 16 bytes long.
 Data: <&#248;&#193;S+&#209;           > F8 C1 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D12B54C910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002D12B551100, 16 bytes long.
 Data: <&#208;&#193;S+&#209;           > D0 C1 53 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D12B53C1D0, 320 bytes long.
 Data: <  U+&#209;    &#201;T+&#209;   > 00 11 55 2B D1 02 00 00 10 C9 54 2B D1 02 00 00 
{268} normal block at 0x000002D12B5510B0, 16 bytes long.
 Data: <`)U+&#209;           > 60 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D12B551010, 16 bytes long.
 Data: <8)U+&#209;           > 38 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D12B54CB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002D12B550FC0, 16 bytes long.
 Data: < )U+&#209;           > 10 29 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D12B54D3F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002D12B550F20, 16 bytes long.
 Data: <X(U+&#209;           > 58 28 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D12B551560, 16 bytes long.
 Data: <0(U+&#209;           > 30 28 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D12B551150, 16 bytes long.
 Data: < (U+&#209;           > 08 28 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D12B5514C0, 16 bytes long.
 Data: <&#224;'U+&#209;           > E0 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D12B551420, 16 bytes long.
 Data: <&#184;'U+&#209;           > B8 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D12B551380, 16 bytes long.
 Data: < 'U+&#209;           > 90 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D12B5511A0, 16 bytes long.
 Data: <&#160;&#185;T+&#209;           > A0 B9 54 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002D12B54B9A0, 40 bytes long.
 Data: <&#160; U+&#209;   `% -&#209;   > A0 11 55 2B D1 02 00 00 60 25 0B 2D D1 02 00 00 
{254} normal block at 0x000002D12B5512E0, 16 bytes long.
 Data: <p'U+&#209;           > 70 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002D12B550F70, 16 bytes long.
 Data: <H'U+&#209;           > 48 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002D12B54D510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002D12B551650, 16 bytes long.
 Data: < 'U+&#209;           > 20 27 55 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002D12B552720, 992 bytes long.
 Data: <P U+&#209;    &#213;T+&#209;   > 50 16 55 2B D1 02 00 00 10 D5 54 2B D1 02 00 00 
{86} normal block at 0x000002D12B54D270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002D12B5471E0, 16 bytes long.
 Data: <&#224;&#183;T+&#209;           > E0 B7 54 2B D1 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002D12B54B7E0, 40 bytes long.
 Data: <&#224;qT+&#209;   p&#210;T+&#209;   > E0 71 54 2B D1 02 00 00 70 D2 54 2B D1 02 00 00 
{63} normal block at 0x000002D12B5470A0, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D12B546BF0, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D12B547460, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D12B546F60, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D12B547780, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D12B5469C0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002D12B546A10, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002D12B5472D0, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002D12B546F10, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002D12B546AB0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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