Task 38667084

Name test_499-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2138_0
Workunit 31609768
Created 25 Oct 2026, 6:16:19 UTC
Sent 25 Oct 2026, 6:17:34 UTC
Report deadline 30 Oct 2026, 6:17:34 UTC
Received 25 Oct 2026, 10:09:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 31 min 34 sec
CPU time 31 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.48 MB
Peak swap size 5.47 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:32:59 (7752): wrapper (7.9.26016): starting
10:32:59 (7752): 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
10:33:00 (7752): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:33:00 (7752): 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\12\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\12\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
11:08:03 (7752): C:/Windows/system32/cmd.exe exited; CPU time 1894.578125
11:08:03 (7752): 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: 38616679 bytes.
Dumping objects ->
{3835256} normal block at 0x000001D049B3ACA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001D047DB47A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001D047DB46C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001D047DB4A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001D047DB49D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001D049B292F0, 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) : {3835168} normal block at 0x000001D047DAFA40, 8 bytes long.
 Data: <  /H&#208;   > 00 00 2F 48 D0 01 00 00 
{3833957} normal block at 0x000001D047DAF720, 8 bytes long.
 Data: <&#208;F&#184;I&#208;   > D0 46 B8 49 D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D047DA6260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D047DA74A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D047DB5670, 16 bytes long.
 Data: <&#200;d&#219;G&#208;           > C8 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D047DB5A80, 16 bytes long.
 Data: <&#160;d&#219;G&#208;           > A0 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D047DB13A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D047DB5620, 16 bytes long.
 Data: <xd&#219;G&#208;           > 78 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D047DB54E0, 16 bytes long.
 Data: <Pd&#219;G&#208;           > 50 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D047DB5940, 16 bytes long.
 Data: <(d&#219;G&#208;           > 28 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D047DB5490, 16 bytes long.
 Data: < d&#219;G&#208;           > 00 64 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D047DB4B20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D047DB5DF0, 16 bytes long.
 Data: <&#168;&#158;&#218;G&#208;           > A8 9E DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D047DB12E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D047DB55D0, 16 bytes long.
 Data: < &#158;&#218;G&#208;           > 80 9E DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D047DB5580, 16 bytes long.
 Data: <X&#158;&#218;G&#208;           > 58 9E DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D047DB5B70, 16 bytes long.
 Data: <0&#158;&#218;G&#208;           > 30 9E DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D047DB5440, 16 bytes long.
 Data: < &#158;&#218;G&#208;           > 08 9E DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D047DB53F0, 16 bytes long.
 Data: <&#224; &#218;G&#208;           > E0 9D DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D047DB5350, 16 bytes long.
 Data: <&#184; &#218;G&#208;           > B8 9D DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D047DB1280, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001D047DB58A0, 16 bytes long.
 Data: <  &#218;G&#208;           > 90 9D DA 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D047DA9D90, 320 bytes long.
 Data: <&#160;X&#219;G&#208;     &#219;G&#208;   > A0 58 DB 47 D0 01 00 00 80 12 DB 47 D0 01 00 00 
{274} normal block at 0x000001D047DB5F30, 16 bytes long.
 Data: <&#224;c&#219;G&#208;           > E0 63 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D047DB5300, 16 bytes long.
 Data: <&#184;c&#219;G&#208;           > B8 63 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D047DB1340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D047DB5E90, 16 bytes long.
 Data: < c&#219;G&#208;           > 90 63 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D047DB1220, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D047DB5850, 16 bytes long.
 Data: <&#216;b&#219;G&#208;           > D8 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D047DB52B0, 16 bytes long.
 Data: <&#176;b&#219;G&#208;           > B0 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D047DB5C60, 16 bytes long.
 Data: < b&#219;G&#208;           > 88 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D047DB5A30, 16 bytes long.
 Data: <`b&#219;G&#208;           > 60 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D047DB5120, 16 bytes long.
 Data: <8b&#219;G&#208;           > 38 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D047DB5530, 16 bytes long.
 Data: < b&#219;G&#208;           > 10 62 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D047DB5EE0, 16 bytes long.
 Data: < E&#219;G&#208;           > 00 45 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D047DB4500, 40 bytes long.
 Data: <&#224;^&#219;G&#208;   &#240;&#146;&#178;I&#208;   > E0 5E DB 47 D0 01 00 00 F0 92 B2 49 D0 01 00 00 
{260} normal block at 0x000001D047DB53A0, 16 bytes long.
 Data: <&#240;a&#219;G&#208;           > F0 61 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D047DB5170, 16 bytes long.
 Data: <&#200;a&#219;G&#208;           > C8 61 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D047DB1040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D047DB5800, 16 bytes long.
 Data: <&#160;a&#219;G&#208;           > A0 61 DB 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D047DB61A0, 992 bytes long.
 Data: < X&#219;G&#208;   @ &#219;G&#208;   > 00 58 DB 47 D0 01 00 00 40 10 DB 47 D0 01 00 00 
{92} normal block at 0x000001D047DB1400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D047DAF950, 16 bytes long.
 Data: <p&#238;&#217;G&#208;           > 70 EE D9 47 D0 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D047D9EE70, 40 bytes long.
 Data: <P&#249;&#218;G&#208;     &#219;G&#208;   > 50 F9 DA 47 D0 01 00 00 00 14 DB 47 D0 01 00 00 
{69} normal block at 0x000001D047DB0080, 16 bytes long.
 Data: < &#234;F7&#247;           > 80 EA 46 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D047DB0260, 16 bytes long.
 Data: <@&#233;F7&#247;           > 40 E9 46 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D047DAF680, 16 bytes long.
 Data: <&#248;WC7&#247;           > F8 57 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D047DAF7C0, 16 bytes long.
 Data: <&#216;WC7&#247;           > D8 57 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D047DAFE50, 16 bytes long.
 Data: <P C7&#247;           > 50 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D047DAF860, 16 bytes long.
 Data: <0 C7&#247;           > 30 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D047DAF6D0, 16 bytes long.
 Data: <&#224; C7&#247;           > E0 02 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D047DAFBD0, 16 bytes long.
 Data: <  C7&#247;           > 10 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D047DAF810, 16 bytes long.
 Data: <p C7&#247;           > 70 04 43 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D047DAFC70, 16 bytes long.
 Data: < &#192;A7&#247;           > 18 C0 41 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra