Task 38659421

Name test_530-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0107_0
Workunit 31602970
Created 24 Oct 2026, 13:25:46 UTC
Sent 24 Oct 2026, 13:29:58 UTC
Report deadline 29 Oct 2026, 13:29:58 UTC
Received 24 Oct 2026, 13:56:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 22 min 12 sec
CPU time 20 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.71 MB
Peak swap size 6.95 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:33:23 (10016): wrapper (7.9.26016): starting
06:33:23 (10016): 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
06:33:24 (10016): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:33:24 (10016): 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
06:55:47 (10016): C:/Windows/system32/cmd.exe exited; CPU time 1221.437500
06:55:47 (10016): 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: 40013905 bytes.
Dumping objects ->
{3836262} normal block at 0x000001510FC19650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836251} normal block at 0x000001510FC19960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836240} normal block at 0x000001510FC193B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836229} normal block at 0x000001510DFC19C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836218} normal block at 0x000001510DFC1950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836187} normal block at 0x000001510FBC92C0, 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) : {3836174} normal block at 0x000001510DFC00C0, 8 bytes long.
 Data: <  &#242; Q   > 00 00 F2 0D 51 01 00 00 
{3833971} normal block at 0x000001510DFBF8F0, 8 bytes long.
 Data: <&#176;&#231;&#250; Q   > B0 E7 FA 0D 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001510DFB9100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001510DFB0B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001510DFC7DF0, 16 bytes long.
 Data: <h&#131;&#252; Q           > 68 83 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001510DFC71C0, 16 bytes long.
 Data: <@&#131;&#252; Q           > 40 83 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001510DFC3190, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001510DFC78F0, 16 bytes long.
 Data: < &#131;&#252; Q           > 18 83 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001510DFC7300, 16 bytes long.
 Data: <&#240;&#130;&#252; Q           > F0 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001510DFC7850, 16 bytes long.
 Data: <&#200;&#130;&#252; Q           > C8 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001510DFC7440, 16 bytes long.
 Data: <&#160;&#130;&#252; Q           > A0 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001510DFC1A30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001510DFC7170, 16 bytes long.
 Data: <  &#251; Q           > 88 12 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001510DFC3430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001510DFC7580, 16 bytes long.
 Data: <` &#251; Q           > 60 12 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001510DFC7260, 16 bytes long.
 Data: <8 &#251; Q           > 38 12 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001510DFC7E40, 16 bytes long.
 Data: <  &#251; Q           > 10 12 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001510DFC76C0, 16 bytes long.
 Data: <&#232; &#251; Q           > E8 11 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001510DFC7620, 16 bytes long.
 Data: <&#192; &#251; Q           > C0 11 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001510DFC7DA0, 16 bytes long.
 Data: <  &#251; Q           > 98 11 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001510DFC2B30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001510DFC75D0, 16 bytes long.
 Data: <p &#251; Q           > 70 11 FB 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001510DFB1170, 320 bytes long.
 Data: <&#208;u&#252; Q   0+&#252; Q   > D0 75 FC 0D 51 01 00 00 30 2B FC 0D 51 01 00 00 
{281} normal block at 0x000001510DFC7CB0, 16 bytes long.
 Data: < &#130;&#252; Q           > 80 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001510DFC7530, 16 bytes long.
 Data: <X&#130;&#252; Q           > 58 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001510DFC2EF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001510DFC78A0, 16 bytes long.
 Data: <0&#130;&#252; Q           > 30 82 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001510DFC34F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001510DFC72B0, 16 bytes long.
 Data: <x &#252; Q           > 78 81 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001510DFC74E0, 16 bytes long.
 Data: <P &#252; Q           > 50 81 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001510DFC7800, 16 bytes long.
 Data: <( &#252; Q           > 28 81 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001510DFC7210, 16 bytes long.
 Data: <  &#252; Q           > 00 81 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001510DFC7B20, 16 bytes long.
 Data: <&#216; &#252; Q           > D8 80 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001510DFC7C60, 16 bytes long.
 Data: <&#176; &#252; Q           > B0 80 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001510DFC7D50, 16 bytes long.
 Data: <&#208; &#252; Q           > D0 15 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001510DFC15D0, 40 bytes long.
 Data: <P}&#252; Q   &#192;&#146;&#188; Q   > 50 7D FC 0D 51 01 00 00 C0 92 BC 0F 51 01 00 00 
{267} normal block at 0x000001510DFC73A0, 16 bytes long.
 Data: <  &#252; Q           > 90 80 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001510DFC79E0, 16 bytes long.
 Data: <h &#252; Q           > 68 80 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001510DFC33D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001510DFC77B0, 16 bytes long.
 Data: <@ &#252; Q           > 40 80 FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001510DFC8040, 992 bytes long.
 Data: <&#176;w&#252; Q   &#208;3&#252; Q   > B0 77 FC 0D 51 01 00 00 D0 33 FC 0D 51 01 00 00 
{99} normal block at 0x000001510DFC2BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001510DFC0390, 16 bytes long.
 Data: <` &#252; Q           > 60 1C FC 0D 51 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001510DFC1C60, 40 bytes long.
 Data: <  &#252; Q   &#240;+&#252; Q   > 90 03 FC 0D 51 01 00 00 F0 2B FC 0D 51 01 00 00 
{76} normal block at 0x000001510DFC0110, 16 bytes long.
 Data: < &#234; &#228;&#246;           > 80 EA 08 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001510DFBFDF0, 16 bytes long.
 Data: <@&#233; &#228;&#246;           > 40 E9 08 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001510DFC02A0, 16 bytes long.
 Data: <&#248;W &#228;&#246;           > F8 57 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001510DFBF9E0, 16 bytes long.
 Data: <&#216;W &#228;&#246;           > D8 57 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001510DFBF940, 16 bytes long.
 Data: <P  &#228;&#246;           > 50 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001510DFC0070, 16 bytes long.
 Data: <0  &#228;&#246;           > 30 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001510DFBFC10, 16 bytes long.
 Data: <&#224;  &#228;&#246;           > E0 02 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001510DFBFFD0, 16 bytes long.
 Data: <   &#228;&#246;           > 10 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001510DFBFF30, 16 bytes long.
 Data: <p  &#228;&#246;           > 70 04 05 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001510DFBFD00, 16 bytes long.
 Data: < &#192; &#228;&#246;           > 18 C0 03 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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