Task 38678443

Name test_718-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8620_0
Workunit 31620262
Created 26 Oct 2026, 17:26:24 UTC
Sent 26 Oct 2026, 17:26:26 UTC
Report deadline 31 Oct 2026, 17:26:26 UTC
Received 26 Oct 2026, 18:01:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 15 sec
CPU time 16 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.63 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:44:13 (24260): wrapper (7.9.26016): starting
18:44:13 (24260): 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
18:44:14 (24260): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:44:14 (24260): 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\3\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\3\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
19:00:47 (24260): C:/Windows/system32/cmd.exe exited; CPU time 986.687500
19:00:47 (24260): 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: 16506691 bytes.
Dumping objects ->
{3835018} normal block at 0x00000219D6ED8E10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x00000219D6ED86A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x00000219D6ED8550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x00000219D6ED90B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x00000219D5114C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x00000219D6EEA980, 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) : {3834930} normal block at 0x00000219D510D7F0, 8 bytes long.
 Data: <   &#213;    > 00 00 0B D5 19 02 00 00 
{3833961} normal block at 0x00000219D510D340, 8 bytes long.
 Data: < &#228; &#213;    > 80 E4 1E D5 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000219D5111650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000219D5106A60, 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 0x00000219D5115860, 16 bytes long.
 Data: <&#184;i &#213;            > B8 69 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000219D5115D60, 16 bytes long.
 Data: < i &#213;            > 90 69 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000219D510EAC0, 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 0x00000219D5116530, 16 bytes long.
 Data: <hi &#213;            > 68 69 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219D5115950, 16 bytes long.
 Data: <@i &#213;            > 40 69 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219D5115BD0, 16 bytes long.
 Data: < i &#213;            > 18 69 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219D5116300, 16 bytes long.
 Data: <&#240;h &#213;            > F0 68 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000219D5114910, 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 0x00000219D5116350, 16 bytes long.
 Data: <&#184;S &#213;            > B8 53 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000219D510F480, 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 0x00000219D5115D10, 16 bytes long.
 Data: < S &#213;            > 90 53 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219D51158B0, 16 bytes long.
 Data: <hS &#213;            > 68 53 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219D5115A90, 16 bytes long.
 Data: <@S &#213;            > 40 53 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219D5116440, 16 bytes long.
 Data: < S &#213;            > 18 53 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219D5115810, 16 bytes long.
 Data: <&#240;R &#213;            > F0 52 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219D5115770, 16 bytes long.
 Data: <&#200;R &#213;            > C8 52 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219D510F240, 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 0x00000219D51159F0, 16 bytes long.
 Data: <&#160;R &#213;            > A0 52 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219D51152A0, 320 bytes long.
 Data: <&#240;Y &#213;    @&#242; &#213;    > F0 59 11 D5 19 02 00 00 40 F2 10 D5 19 02 00 00 
{276} normal block at 0x00000219D5115C20, 16 bytes long.
 Data: <&#208;h &#213;            > D0 68 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000219D51157C0, 16 bytes long.
 Data: <&#168;h &#213;            > A8 68 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219D510F1E0, 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 0x00000219D51165D0, 16 bytes long.
 Data: < h &#213;            > 80 68 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000219D510F0C0, 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 0x00000219D51162B0, 16 bytes long.
 Data: <&#200;g &#213;            > C8 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000219D5115720, 16 bytes long.
 Data: <&#160;g &#213;            > A0 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219D5115F40, 16 bytes long.
 Data: <xg &#213;            > 78 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219D51163F0, 16 bytes long.
 Data: <Pg &#213;            > 50 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219D51164E0, 16 bytes long.
 Data: <(g &#213;            > 28 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000219D5115E00, 16 bytes long.
 Data: < g &#213;            > 00 67 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000219D5115C70, 16 bytes long.
 Data: <`J &#213;            > 60 4A 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000219D5114A60, 40 bytes long.
 Data: <p\ &#213;     &#169;&#238;&#214;    > 70 5C 11 D5 19 02 00 00 80 A9 EE D6 19 02 00 00 
{262} normal block at 0x00000219D5115900, 16 bytes long.
 Data: <&#224;f &#213;            > E0 66 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000219D51156D0, 16 bytes long.
 Data: <&#184;f &#213;            > B8 66 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000219D510F960, 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 0x00000219D5115A40, 16 bytes long.
 Data: < f &#213;            > 90 66 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000219D5116690, 992 bytes long.
 Data: <@Z &#213;    `&#249; &#213;    > 40 5A 11 D5 19 02 00 00 60 F9 10 D5 19 02 00 00 
{94} normal block at 0x00000219D510F420, 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 0x00000219D510D7A0, 16 bytes long.
 Data: <&#160;H &#213;            > A0 48 11 D5 19 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000219D51148A0, 40 bytes long.
 Data: <&#160;&#215; &#213;     &#244; &#213;    > A0 D7 10 D5 19 02 00 00 20 F4 10 D5 19 02 00 00 
{71} normal block at 0x00000219D510D2F0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219D510D700, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219D510DF20, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219D510DB10, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219D510D430, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219D510D890, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219D510D750, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219D510D4D0, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219D510DE80, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000219D510DA70, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra