Task 38684997

Name test_176-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7215_0
Workunit 31626490
Created 27 Oct 2026, 18:56:10 UTC
Sent 27 Oct 2026, 18:56:12 UTC
Report deadline 1 Nov 2026, 18:56:12 UTC
Received 27 Oct 2026, 22:39:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 58 min 46 sec
CPU time 51 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.47 MB
Peak swap size 8.42 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:42:07 (15480): wrapper (7.9.26016): starting
14:42:07 (15480): 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
14:42:10 (15480): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:42:10 (15480): 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
15:38:15 (15480): C:/Windows/system32/cmd.exe exited; CPU time 3078.750000
15:38:15 (15480): 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: 64933307 bytes.
Dumping objects ->
{3835458} normal block at 0x0000026C627BCCB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000026C627BCC40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000026C627BCBD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000026C60AD70F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000026C60AD7080, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000026C627CE760, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000026C627E2AC0, 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) : {3835369} normal block at 0x0000026C60ACF8F0, 8 bytes long.
 Data: <  Ibl   > 00 00 49 62 6C 02 00 00 
{3834654} normal block at 0x0000026C627E30F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000026C60ACF440, 8 bytes long.
 Data: <&#192;&#188;{bl   > C0 BC 7B 62 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000026C60ADA550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026C60AC2010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000026C60AD8690, 16 bytes long.
 Data: <&#248; &#173;`l           > F8 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026C60AD8000, 16 bytes long.
 Data: <&#208; &#173;`l           > D0 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026C60AD11B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000026C60AD8640, 16 bytes long.
 Data: <&#168; &#173;`l           > A8 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026C60AD7D80, 16 bytes long.
 Data: <  &#173;`l           > 80 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C60AD7FB0, 16 bytes long.
 Data: <X &#173;`l           > 58 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026C60AD7D30, 16 bytes long.
 Data: <0 &#173;`l           > 30 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026C60AD7390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000026C60AD8140, 16 bytes long.
 Data: <(&#187;&#171;`l           > 28 BB AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026C60AD1CF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000026C60AD7740, 16 bytes long.
 Data: < &#187;&#171;`l           > 00 BB AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026C60AD85F0, 16 bytes long.
 Data: <&#216;&#186;&#171;`l           > D8 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026C60AD7F10, 16 bytes long.
 Data: <&#176;&#186;&#171;`l           > B0 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026C60AD7970, 16 bytes long.
 Data: < &#186;&#171;`l           > 88 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026C60AD8550, 16 bytes long.
 Data: <`&#186;&#171;`l           > 60 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026C60AD8460, 16 bytes long.
 Data: <8&#186;&#171;`l           > 38 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026C60AD1FF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000026C60AD7B50, 16 bytes long.
 Data: < &#186;&#171;`l           > 10 BA AB 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C60ABBA10, 320 bytes long.
 Data: <P{&#173;`l   &#240; &#173;`l   > 50 7B AD 60 6C 02 00 00 F0 1F AD 60 6C 02 00 00 
{278} normal block at 0x0000026C60AD85A0, 16 bytes long.
 Data: <  &#173;`l           > 10 0B AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026C60AD7EC0, 16 bytes long.
 Data: <&#232; &#173;`l           > E8 0A AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026C60AD1210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000026C60AD7790, 16 bytes long.
 Data: <&#192; &#173;`l           > C0 0A AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026C60AD1E70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000026C60AD7C90, 16 bytes long.
 Data: <  &#173;`l           > 08 0A AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026C60AD7B00, 16 bytes long.
 Data: <&#224;	&#173;`l           > E0 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026C60AD7E70, 16 bytes long.
 Data: <&#184;	&#173;`l           > B8 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026C60AD7E20, 16 bytes long.
 Data: < 	&#173;`l           > 90 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026C60AD8500, 16 bytes long.
 Data: <h	&#173;`l           > 68 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C60AD7CE0, 16 bytes long.
 Data: <@	&#173;`l           > 40 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026C60AD7AB0, 16 bytes long.
 Data: <0o&#173;`l           > 30 6F AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C60AD6F30, 40 bytes long.
 Data: <&#176;z&#173;`l   `&#231;|bl   > B0 7A AD 60 6C 02 00 00 60 E7 7C 62 6C 02 00 00 
{264} normal block at 0x0000026C60AD7C40, 16 bytes long.
 Data: < 	&#173;`l           > 20 09 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026C60AD8190, 16 bytes long.
 Data: <&#248; &#173;`l           > F8 08 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C60AD1990, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000026C60AD7F60, 16 bytes long.
 Data: <&#208; &#173;`l           > D0 08 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026C60AD08D0, 992 bytes long.
 Data: <` &#173;`l     &#173;`l   > 60 7F AD 60 6C 02 00 00 90 19 AD 60 6C 02 00 00 
{96} normal block at 0x0000026C60AD16F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000026C60ACF3F0, 16 bytes long.
 Data: <`q&#173;`l           > 60 71 AD 60 6C 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000026C60AD7160, 40 bytes long.
 Data: <&#240;&#243;&#172;`l   &#240; &#173;`l   > F0 F3 AC 60 6C 02 00 00 F0 16 AD 60 6C 02 00 00 
{73} normal block at 0x0000026C60ACF300, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026C60ACF5D0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026C60ACFDA0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026C60ACFC10, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026C60ACFBC0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026C60ACFD50, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026C60ACFD00, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C60ACF850, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026C60ACF3A0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026C60ACF350, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra