Task 38685853

Name test_8-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2091_0
Workunit 31627307
Created 27 Oct 2026, 23:15:46 UTC
Sent 27 Oct 2026, 23:15:56 UTC
Report deadline 1 Nov 2026, 23:15:56 UTC
Received 28 Oct 2026, 7:48:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609617
Run time 58 min 53 sec
CPU time 58 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,564.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.48 MB
Peak swap size 9.76 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:40:33 (8084): wrapper (7.9.26016): starting
07:40:33 (8084): 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
07:40:37 (8084): Library/usr/bin/tar.exe exited; CPU time 0.046875
07:40:37 (8084): 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\23\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\23\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835155} normal block at 0x0000024B72B26300, 8 bytes long.
 Data: <  HtK   > 00 00 48 74 4B 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000024B746D9750, 1080 bytes long.
 Data: <                > 04 0A 00 00 CD CD CD CD FC 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000024B72B31960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
09:39:49 (8164): wrapper (7.9.26016): starting
09:39:49 (8164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\23\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
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
09:49:28 (8164): C:/Windows/system32/cmd.exe exited; CPU time 457.515625
09:49:28 (8164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 5026567 bytes.
Dumping objects ->
{1597} normal block at 0x0000017C5649CF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1586} normal block at 0x0000017C5649CD60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1575} normal block at 0x0000017C5649CEB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1564} normal block at 0x0000017C5649CDD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1553} normal block at 0x0000017C5649D310, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1522} normal block at 0x0000017C564866D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1511} normal block at 0x0000017C5648C190, 180 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) : {1508} normal block at 0x0000017C564A4FE0, 8 bytes long.
 Data: <  >V|   > 00 00 3E 56 7C 01 00 00 
{901} normal block at 0x0000017C5648C910, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{298} normal block at 0x0000017C564A5CB0, 8 bytes long.
 Data: < rJV|   > 90 72 4A 56 7C 01 00 00 
{289} normal block at 0x0000017C5648E270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000017C564A5580, 16 bytes long.
 Data: < qJV|           > 98 71 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017C564A5C60, 16 bytes long.
 Data: <pqJV|           > 70 71 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017C5649E220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000017C564A5C10, 16 bytes long.
 Data: <HqJV|           > 48 71 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017C564A4F90, 16 bytes long.
 Data: < qJV|           > 20 71 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017C564A56C0, 16 bytes long.
 Data: < pJV|           > F8 70 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017C564A5260, 16 bytes long.
 Data: < pJV|           > D0 70 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017C5649D000, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000017C564A50D0, 16 bytes long.
 Data: <([HV|           > 28 5B 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017C5649E580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000017C564A5BC0, 16 bytes long.
 Data: < [HV|           > 00 5B 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017C564A5AD0, 16 bytes long.
 Data: < ZHV|           > D8 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017C564A5A80, 16 bytes long.
 Data: < ZHV|           > B0 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017C564A5A30, 16 bytes long.
 Data: < ZHV|           > 88 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017C564A4F40, 16 bytes long.
 Data: <`ZHV|           > 60 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017C564A52B0, 16 bytes long.
 Data: <8ZHV|           > 38 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017C5649E160, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000017C564A5210, 16 bytes long.
 Data: < ZHV|           > 10 5A 48 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017C56485A10, 320 bytes long.
 Data: < RJV|   ` IV|   > 10 52 4A 56 7C 01 00 00 60 E1 49 56 7C 01 00 00 
{268} normal block at 0x0000017C564A4EF0, 16 bytes long.
 Data: < pJV|           > B0 70 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017C564A57B0, 16 bytes long.
 Data: < pJV|           > 88 70 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017C5649ED00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000017C564A4EA0, 16 bytes long.
 Data: <`pJV|           > 60 70 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017C5649E040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000017C564A5350, 16 bytes long.
 Data: < oJV|           > A8 6F 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017C564A5DF0, 16 bytes long.
 Data: < oJV|           > 80 6F 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017C564A54E0, 16 bytes long.
 Data: <XoJV|           > 58 6F 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017C564A5710, 16 bytes long.
 Data: <0oJV|           > 30 6F 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017C564A53F0, 16 bytes long.
 Data: < oJV|           > 08 6F 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017C564A51C0, 16 bytes long.
 Data: < nJV|           > E0 6E 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017C564A5D00, 16 bytes long.
 Data: <P IV|           > 50 D1 49 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017C5649D150, 40 bytes long.
 Data: < ]JV|    fHV|   > 00 5D 4A 56 7C 01 00 00 D0 66 48 56 7C 01 00 00 
{254} normal block at 0x0000017C564A5670, 16 bytes long.
 Data: < nJV|           > C0 6E 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017C564A5D50, 16 bytes long.
 Data: < nJV|           > 98 6E 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017C5649E0A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000017C564A5120, 16 bytes long.
 Data: <pnJV|           > 70 6E 4A 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000017C564A6E70, 992 bytes long.
 Data: < QJV|     IV|   > 20 51 4A 56 7C 01 00 00 A0 E0 49 56 7C 01 00 00 
{86} normal block at 0x0000017C5649E820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000017C56498910, 16 bytes long.
 Data: <@ IV|           > 40 CE 49 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000017C5649CE40, 40 bytes long.
 Data: <  IV|     IV|   > 10 89 49 56 7C 01 00 00 20 E8 49 56 7C 01 00 00 
{63} normal block at 0x0000017C56498C80, 16 bytes long.
 Data: <   v            > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017C56497F60, 16 bytes long.
 Data: <@  v            > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017C56498690, 16 bytes long.
 Data: < W v            > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017C56498500, 16 bytes long.
 Data: < W v            > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017C56498140, 16 bytes long.
 Data: <P  v            > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017C564984B0, 16 bytes long.
 Data: <0  v            > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017C564983C0, 16 bytes long.
 Data: <   v            > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017C56498640, 16 bytes long.
 Data: <   v            > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017C56498D70, 16 bytes long.
 Data: <p  v            > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017C56498E10, 16 bytes long.
 Data: <   v            > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra