Task 38685561

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5102_0
Workunit 31627025
Created 27 Oct 2026, 21:42:24 UTC
Sent 27 Oct 2026, 21:42:27 UTC
Report deadline 1 Nov 2026, 21:42:27 UTC
Received 27 Oct 2026, 22:04:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 18 min 37 sec
CPU time 16 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.70 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
22:46:17 (13564): wrapper (7.9.26016): starting
22:46:17 (13564): 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
22:46:18 (13564): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:46:18 (13564): 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:\DataBOINC\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:\DataBOINC\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
23:04:06 (13564): C:/Windows/system32/cmd.exe exited; CPU time 998.171875
23:04:06 (13564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 20358833 bytes.
Dumping objects ->
{3835610} normal block at 0x000002078C145310, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x000002078DFB2B60, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x000002078DFB13C0, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x000002078DFB21A0, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x000002078DFB28C0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x000002078C1451C0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x000002078DF7EED0, 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) : {3835521} normal block at 0x000002078C13E570, 8 bytes long.
 Data: <  c&#140;    > 00 00 63 8C 07 02 00 00 
{3834715} normal block at 0x000002078DF7F0E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002078C13E4D0, 8 bytes long.
 Data: <P&#228;!&#140;    > 50 E4 21 8C 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002078C141770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002078C136BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002078C146AE0, 16 bytes long.
 Data: <ho &#140;            > 68 6F 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002078C146770, 16 bytes long.
 Data: <@o &#140;            > 40 6F 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002078C140060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002078C145C80, 16 bytes long.
 Data: < o &#140;            > 18 6F 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002078C145F00, 16 bytes long.
 Data: <&#240;n &#140;            > F0 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002078C1466D0, 16 bytes long.
 Data: <&#200;n &#140;            > C8 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002078C1467C0, 16 bytes long.
 Data: <&#160;n &#140;            > A0 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002078C1455B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002078C146630, 16 bytes long.
 Data: < &#247; &#140;            > 98 F7 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002078C13FCA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002078C146090, 16 bytes long.
 Data: <p&#247; &#140;            > 70 F7 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002078C146310, 16 bytes long.
 Data: <H&#247; &#140;            > 48 F7 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002078C1468B0, 16 bytes long.
 Data: < &#247; &#140;            > 20 F7 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002078C145D70, 16 bytes long.
 Data: <&#248;&#246; &#140;            > F8 F6 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002078C145FA0, 16 bytes long.
 Data: <&#208;&#246; &#140;            > D0 F6 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002078C146B80, 16 bytes long.
 Data: <&#168;&#246; &#140;            > A8 F6 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002078C13FC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002078C1465E0, 16 bytes long.
 Data: < &#246; &#140;            > 80 F6 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002078C12F680, 320 bytes long.
 Data: <&#224;e &#140;    @&#252; &#140;    > E0 65 14 8C 07 02 00 00 40 FC 13 8C 07 02 00 00 
{276} normal block at 0x000002078C1464F0, 16 bytes long.
 Data: < n &#140;            > 80 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002078C146450, 16 bytes long.
 Data: <Xn &#140;            > 58 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002078C140120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002078C145EB0, 16 bytes long.
 Data: <0n &#140;            > 30 6E 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002078C13FEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002078C145E60, 16 bytes long.
 Data: <xm &#140;            > 78 6D 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002078C145F50, 16 bytes long.
 Data: <Pm &#140;            > 50 6D 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002078C1464A0, 16 bytes long.
 Data: <(m &#140;            > 28 6D 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002078C146400, 16 bytes long.
 Data: < m &#140;            > 00 6D 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002078C146540, 16 bytes long.
 Data: <&#216;l &#140;            > D8 6C 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002078C145E10, 16 bytes long.
 Data: <&#176;l &#140;            > B0 6C 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002078C146360, 16 bytes long.
 Data: <&#224;P &#140;            > E0 50 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002078C1450E0, 40 bytes long.
 Data: <`c &#140;    &#192;Q &#140;    > 60 63 14 8C 07 02 00 00 C0 51 14 8C 07 02 00 00 
{262} normal block at 0x000002078C146900, 16 bytes long.
 Data: < l &#140;            > 90 6C 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002078C1461D0, 16 bytes long.
 Data: <hl &#140;            > 68 6C 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002078C13FE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002078C1463B0, 16 bytes long.
 Data: <@l &#140;            > 40 6C 14 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002078C146C40, 992 bytes long.
 Data: <&#176;c &#140;     &#254; &#140;    > B0 63 14 8C 07 02 00 00 80 FE 13 8C 07 02 00 00 
{94} normal block at 0x000002078C13FA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002078C13E200, 16 bytes long.
 Data: <0&#234; &#140;            > 30 EA 12 8C 07 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002078C12EA30, 40 bytes long.
 Data: < &#226; &#140;     &#250; &#140;    > 00 E2 13 8C 07 02 00 00 00 FA 13 8C 07 02 00 00 
{71} normal block at 0x000002078C13DFD0, 16 bytes long.
 Data: < &#234;&#160;&#224;&#247;           > 80 EA A0 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002078C13E520, 16 bytes long.
 Data: <@&#233;&#160;&#224;&#247;           > 40 E9 A0 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002078C13E1B0, 16 bytes long.
 Data: <&#248;W &#224;&#247;           > F8 57 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002078C13DD50, 16 bytes long.
 Data: <&#216;W &#224;&#247;           > D8 57 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002078C13D9E0, 16 bytes long.
 Data: <P  &#224;&#247;           > 50 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002078C13D800, 16 bytes long.
 Data: <0  &#224;&#247;           > 30 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002078C13DA30, 16 bytes long.
 Data: <&#224;  &#224;&#247;           > E0 02 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002078C13E2A0, 16 bytes long.
 Data: <   &#224;&#247;           > 10 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002078C13DC60, 16 bytes long.
 Data: <p  &#224;&#247;           > 70 04 9D E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002078C13D7B0, 16 bytes long.
 Data: < &#192;&#155;&#224;&#247;           > 18 C0 9B E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra