Task 38686402

Name test_573-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0050_0
Workunit 31627835
Created 28 Oct 2026, 2:18:14 UTC
Sent 28 Oct 2026, 2:18:20 UTC
Report deadline 2 Nov 2026, 2:18:20 UTC
Received 28 Oct 2026, 3:20:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 59 min 38 sec
CPU time 51 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.24 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
22:20:01 (42956): wrapper (7.9.26016): starting
22:20:01 (42956): 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
22:20:03 (42956): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:20:03 (42956): 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
23:19:51 (42956): C:/Windows/system32/cmd.exe exited; CPU time 3090.953125
23:19:51 (42956): 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: 85512459 bytes.
Dumping objects ->
{3835500} normal block at 0x0000013D8CEE5A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000013D8CEE6020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000013D8CEE6170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000013D8CEE6100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000013D8CEE5D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x0000013D8EC08F10, 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) : {3835412} normal block at 0x0000013D8CEE0600, 8 bytes long.
 Data: <  &#151;&#142;=   > 00 00 97 8E 3D 01 00 00 
{3833959} normal block at 0x0000013D8CEE03D0, 8 bytes long.
 Data: <&#240;&#232;&#251;&#140;=   > F0 E8 FB 8C 3D 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000013D8CEE1D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013D8CED77B0, 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 0x0000013D8CEE6B40, 16 bytes long.
 Data: <hu&#238;&#140;=           > 68 75 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013D8CEE6FF0, 16 bytes long.
 Data: <@u&#238;&#140;=           > 40 75 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013D8CEE0F00, 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 0x0000013D8CEE6FA0, 16 bytes long.
 Data: < u&#238;&#140;=           > 18 75 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013D8CEE6A00, 16 bytes long.
 Data: <&#240;t&#238;&#140;=           > F0 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013D8CEE6CD0, 16 bytes long.
 Data: <&#200;t&#238;&#140;=           > C8 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013D8CEE6780, 16 bytes long.
 Data: <&#160;t&#238;&#140;=           > A0 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013D8CEE5FB0, 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 0x0000013D8CEE6A50, 16 bytes long.
 Data: <&#248;&#244;&#237;&#140;=           > F8 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013D8CEE12C0, 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 0x0000013D8CEE6960, 16 bytes long.
 Data: <&#208;&#244;&#237;&#140;=           > D0 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013D8CEE6910, 16 bytes long.
 Data: <&#168;&#244;&#237;&#140;=           > A8 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013D8CEE6690, 16 bytes long.
 Data: < &#244;&#237;&#140;=           > 80 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013D8CEE6F50, 16 bytes long.
 Data: <X&#244;&#237;&#140;=           > 58 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013D8CEE6870, 16 bytes long.
 Data: <0&#244;&#237;&#140;=           > 30 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013D8CEE6280, 16 bytes long.
 Data: < &#244;&#237;&#140;=           > 08 F4 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013D8CEE1020, 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 0x0000013D8CEE65F0, 16 bytes long.
 Data: <&#224;&#243;&#237;&#140;=           > E0 F3 ED 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013D8CEDF3E0, 320 bytes long.
 Data: <&#240;e&#238;&#140;=     &#238;&#140;=   > F0 65 EE 8C 3D 01 00 00 20 10 EE 8C 3D 01 00 00 
{275} normal block at 0x0000013D8CEE6500, 16 bytes long.
 Data: < t&#238;&#140;=           > 80 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013D8CEE6C30, 16 bytes long.
 Data: <Xt&#238;&#140;=           > 58 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013D8CEE0960, 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 0x0000013D8CEE6460, 16 bytes long.
 Data: <0t&#238;&#140;=           > 30 74 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013D8CEE1560, 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 0x0000013D8CEE68C0, 16 bytes long.
 Data: <xs&#238;&#140;=           > 78 73 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013D8CEE7090, 16 bytes long.
 Data: <Ps&#238;&#140;=           > 50 73 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013D8CEE6320, 16 bytes long.
 Data: <(s&#238;&#140;=           > 28 73 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013D8CEE6820, 16 bytes long.
 Data: < s&#238;&#140;=           > 00 73 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013D8CEE69B0, 16 bytes long.
 Data: <&#216;r&#238;&#140;=           > D8 72 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013D8CEE6730, 16 bytes long.
 Data: <&#176;r&#238;&#140;=           > B0 72 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013D8CEE6BE0, 16 bytes long.
 Data: <`^&#238;&#140;=           > 60 5E EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013D8CEE5E60, 40 bytes long.
 Data: <&#224;k&#238;&#140;=     &#192;&#142;=   > E0 6B EE 8C 3D 01 00 00 10 8F C0 8E 3D 01 00 00 
{261} normal block at 0x0000013D8CEE65A0, 16 bytes long.
 Data: < r&#238;&#140;=           > 90 72 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013D8CEE6640, 16 bytes long.
 Data: <hr&#238;&#140;=           > 68 72 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013D8CEE0FC0, 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 0x0000013D8CEE6F00, 16 bytes long.
 Data: <@r&#238;&#140;=           > 40 72 EE 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013D8CEE7240, 992 bytes long.
 Data: < o&#238;&#140;=   &#192; &#238;&#140;=   > 00 6F EE 8C 3D 01 00 00 C0 0F EE 8C 3D 01 00 00 
{93} normal block at 0x0000013D8CEE0CC0, 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 0x0000013D8CEE01F0, 16 bytes long.
 Data: <&#192;&#227;&#236;&#140;=           > C0 E3 EC 8C 3D 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000013D8CECE3C0, 40 bytes long.
 Data: <&#240; &#238;&#140;=   &#192; &#238;&#140;=   > F0 01 EE 8C 3D 01 00 00 C0 0C EE 8C 3D 01 00 00 
{70} normal block at 0x0000013D8CEDF8E0, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013D8CEE01A0, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013D8CEDF9D0, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013D8CEE00B0, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013D8CEDFD40, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013D8CEE0150, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013D8CEDFB60, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013D8CEDFF70, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013D8CEDF840, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013D8CEDFA20, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra