Task 38654797

Name test_761-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8667_0
Workunit 31598596
Created 24 Oct 2026, 7:55:23 UTC
Sent 24 Oct 2026, 7:55:30 UTC
Report deadline 29 Oct 2026, 7:55:30 UTC
Received 24 Oct 2026, 9:33:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 27 min 24 sec
CPU time 25 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.90 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:35:48 (388760): wrapper (7.9.26016): starting
03:35:48 (388760): 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
03:35:49 (388760): Library/usr/bin/tar.exe exited; CPU time 0.046875
03:35:49 (388760): 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
04:01:55 (388760): C:/Windows/system32/cmd.exe exited; CPU time 1529.640625
04:01:55 (388760): 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: 34603079 bytes.
Dumping objects ->
{3835248} normal block at 0x000002C3002BE9D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000002C3002BEF10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002C3002BF290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000002C3002BE960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000002C3002BF220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000002C3002BB400, 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) : {3835160} normal block at 0x000002C37E15B3C0, 8 bytes long.
 Data: <  A &#195;   > 00 00 41 00 C3 02 00 00 
{3833959} normal block at 0x000002C37E15BB90, 8 bytes long.
 Data: <&#160;&#206;+ &#195;   > A0 CE 2B 00 C3 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002C37E13A9A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002C37E13C060, 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 0x000002C37E15B550, 16 bytes long.
 Data: <Hj ~&#195;           > 48 6A 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C37E15B500, 16 bytes long.
 Data: < j ~&#195;           > 20 6A 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002C37E15CC50, 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 0x000002C37E15B2D0, 16 bytes long.
 Data: <&#248;i ~&#195;           > F8 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C37E15B280, 16 bytes long.
 Data: <&#208;i ~&#195;           > D0 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C37E15B870, 16 bytes long.
 Data: <&#168;i ~&#195;           > A8 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C37E15B230, 16 bytes long.
 Data: < i ~&#195;           > 80 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C37E15E0C0, 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 0x000002C37E15BAF0, 16 bytes long.
 Data: <&#232;&#229; ~&#195;           > E8 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C37E15C4D0, 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 0x000002C37E15B190, 16 bytes long.
 Data: <&#192;&#229; ~&#195;           > C0 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C37E15B4B0, 16 bytes long.
 Data: < &#229; ~&#195;           > 98 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C37E15B0A0, 16 bytes long.
 Data: <p&#229; ~&#195;           > 70 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C37E15B730, 16 bytes long.
 Data: <H&#229; ~&#195;           > 48 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C37E15BFF0, 16 bytes long.
 Data: < &#229; ~&#195;           > 20 E5 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C37E15BD20, 16 bytes long.
 Data: <&#248;&#228; ~&#195;           > F8 E4 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C37E15C0B0, 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 0x000002C37E15B7D0, 16 bytes long.
 Data: <&#208;&#228; ~&#195;           > D0 E4 12 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C37E12E4D0, 320 bytes long.
 Data: <&#208;&#183; ~&#195;   &#176;&#192; ~&#195;   > D0 B7 15 7E C3 02 00 00 B0 C0 15 7E C3 02 00 00 
{275} normal block at 0x000002C37E15BF50, 16 bytes long.
 Data: <`i ~&#195;           > 60 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C37E15B410, 16 bytes long.
 Data: <8i ~&#195;           > 38 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C37E15CDD0, 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 0x000002C37E15B140, 16 bytes long.
 Data: < i ~&#195;           > 10 69 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C37E15C590, 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 0x000002C37E15BF00, 16 bytes long.
 Data: <Xh ~&#195;           > 58 68 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C37E15BEB0, 16 bytes long.
 Data: <0h ~&#195;           > 30 68 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C37E15B780, 16 bytes long.
 Data: < h ~&#195;           > 08 68 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C37E15BBE0, 16 bytes long.
 Data: <&#224;g ~&#195;           > E0 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C37E15B820, 16 bytes long.
 Data: <&#184;g ~&#195;           > B8 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C37E15B460, 16 bytes long.
 Data: < g ~&#195;           > 90 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C37E15BB40, 16 bytes long.
 Data: < &#230; ~&#195;           > 00 E6 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C37E15E600, 40 bytes long.
 Data: <@&#187; ~&#195;    &#180;+ &#195;   > 40 BB 15 7E C3 02 00 00 00 B4 2B 00 C3 02 00 00 
{261} normal block at 0x000002C37E15BAA0, 16 bytes long.
 Data: <pg ~&#195;           > 70 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C37E15B6E0, 16 bytes long.
 Data: <Hg ~&#195;           > 48 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C37E1430E0, 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 0x000002C37E15B690, 16 bytes long.
 Data: < g ~&#195;           > 20 67 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C37E156720, 992 bytes long.
 Data: < &#182; ~&#195;   &#224;0 ~&#195;   > 90 B6 15 7E C3 02 00 00 E0 30 14 7E C3 02 00 00 
{93} normal block at 0x000002C37E1432C0, 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 0x000002C37E1490D0, 16 bytes long.
 Data: < &#229; ~&#195;           > 90 E5 15 7E C3 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002C37E15E590, 40 bytes long.
 Data: <&#208;  ~&#195;   &#192;2 ~&#195;   > D0 90 14 7E C3 02 00 00 C0 32 14 7E C3 02 00 00 
{70} normal block at 0x000002C37E148FE0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C37E149120, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C37E148F40, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C37E148EF0, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C37E148E50, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C37E148E00, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C37E149D00, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C37E149C60, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C37E149B20, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C37E149C10, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra