Task 38666946

Name test_738-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND3883_7
Workunit 31608892
Created 25 Oct 2026, 5:35:33 UTC
Sent 25 Oct 2026, 5:37:29 UTC
Report deadline 30 Oct 2026, 5:37:29 UTC
Received 25 Oct 2026, 5:59:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 19 min 46 sec
CPU time 17 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.09 MB
Peak swap size 11.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:39:55 (41512): wrapper (7.9.26016): starting
22:39:55 (41512): 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
22:39:56 (41512): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:39:56 (41512): 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\10\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\10\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
22:58:49 (41512): C:/Windows/system32/cmd.exe exited; CPU time 1071.781250
22:58:49 (41512): 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: 26959999 bytes.
Dumping objects ->
{3835512} normal block at 0x0000013A834D5280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000013A834D4F00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000013A834D54B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x0000013A834D53D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000013A834D5210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x0000013A851AADB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000013A851BF5D0, 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) : {3835423} normal block at 0x0000013A834CF890, 8 bytes long.
 Data: <  F&#131;:   > 00 00 46 83 3A 01 00 00 
{3834678} normal block at 0x0000013A851BEA20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000013A834CF2F0, 8 bytes long.
 Data: <&#160;&#218;K&#131;:   > A0 DA 4B 83 3A 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000013A834CE050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013A834C6320, 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 0x0000013A834D65F0, 16 bytes long.
 Data: <&#168;lM&#131;:           > A8 6C 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013A834D5AB0, 16 bytes long.
 Data: < lM&#131;:           > 80 6C 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013A834D0330, 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 0x0000013A834D6320, 16 bytes long.
 Data: <XlM&#131;:           > 58 6C 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013A834D6140, 16 bytes long.
 Data: <0lM&#131;:           > 30 6C 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013A834D5CE0, 16 bytes long.
 Data: < lM&#131;:           > 08 6C 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013A834D5A10, 16 bytes long.
 Data: <&#224;kM&#131;:           > E0 6B 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013A834D5360, 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 0x0000013A834D6000, 16 bytes long.
 Data: <&#248;&#245;K&#131;:           > F8 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013A834D0B70, 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 0x0000013A834D61E0, 16 bytes long.
 Data: <&#208;&#245;K&#131;:           > D0 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013A834D6500, 16 bytes long.
 Data: <&#168;&#245;K&#131;:           > A8 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013A834D6190, 16 bytes long.
 Data: < &#245;K&#131;:           > 80 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013A834D5C90, 16 bytes long.
 Data: <X&#245;K&#131;:           > 58 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013A834D5FB0, 16 bytes long.
 Data: <0&#245;K&#131;:           > 30 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013A834D6690, 16 bytes long.
 Data: < &#245;K&#131;:           > 08 F5 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013A834D0690, 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 0x0000013A834D5EC0, 16 bytes long.
 Data: <&#224;&#244;K&#131;:           > E0 F4 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013A834BF4E0, 320 bytes long.
 Data: <&#192;^M&#131;:     M&#131;:   > C0 5E 4D 83 3A 01 00 00 90 06 4D 83 3A 01 00 00 
{275} normal block at 0x0000013A834D68C0, 16 bytes long.
 Data: <&#192;kM&#131;:           > C0 6B 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013A834D5E70, 16 bytes long.
 Data: < kM&#131;:           > 98 6B 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013A834D02D0, 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 0x0000013A834D64B0, 16 bytes long.
 Data: <pkM&#131;:           > 70 6B 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013A834D0AB0, 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 0x0000013A834D5C40, 16 bytes long.
 Data: <&#184;jM&#131;:           > B8 6A 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013A834D59C0, 16 bytes long.
 Data: < jM&#131;:           > 90 6A 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013A834D5BA0, 16 bytes long.
 Data: <hjM&#131;:           > 68 6A 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013A834D6460, 16 bytes long.
 Data: <@jM&#131;:           > 40 6A 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013A834D5BF0, 16 bytes long.
 Data: < jM&#131;:           > 18 6A 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013A834D66E0, 16 bytes long.
 Data: <&#240;iM&#131;:           > F0 69 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013A834D5B50, 16 bytes long.
 Data: <@TM&#131;:           > 40 54 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013A834D5440, 40 bytes long.
 Data: <P[M&#131;:   &#176;&#173; &#133;:   > 50 5B 4D 83 3A 01 00 00 B0 AD 1A 85 3A 01 00 00 
{261} normal block at 0x0000013A834D6910, 16 bytes long.
 Data: <&#208;iM&#131;:           > D0 69 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013A834D6640, 16 bytes long.
 Data: <&#168;iM&#131;:           > A8 69 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013A834D0B10, 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 0x0000013A834D6550, 16 bytes long.
 Data: < iM&#131;:           > 80 69 4D 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013A834D6980, 992 bytes long.
 Data: <PeM&#131;:     M&#131;:   > 50 65 4D 83 3A 01 00 00 10 0B 4D 83 3A 01 00 00 
{93} normal block at 0x0000013A834D0570, 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 0x0000013A834CFBB0, 16 bytes long.
 Data: <0&#231;K&#131;:           > 30 E7 4B 83 3A 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000013A834BE730, 40 bytes long.
 Data: <&#176;&#251;L&#131;:   p M&#131;:   > B0 FB 4C 83 3A 01 00 00 70 05 4D 83 3A 01 00 00 
{70} normal block at 0x0000013A834CEF30, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013A834CF980, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013A834CF2A0, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013A834CF8E0, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013A834CF5C0, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013A834CFB60, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013A834CF520, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013A834CF480, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013A834CEFD0, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013A834CF070, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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