Task 38655576

Name test_70-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0427_0
Workunit 31599329
Created 24 Oct 2026, 9:42:54 UTC
Sent 24 Oct 2026, 9:43:24 UTC
Report deadline 29 Oct 2026, 9:43:24 UTC
Received 24 Oct 2026, 11:31:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654878
Run time 1 hours 3 min 2 sec
CPU time 48 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 109,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 782.01 MB
Peak swap size 25.33 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:29:39 (43020): wrapper (7.9.26016): starting
17:29:39 (43020): 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
17:29:43 (43020): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:29:43 (43020): 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\13\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\13\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
18:31:04 (43020): C:/Windows/system32/cmd.exe exited; CPU time 2938.734375
18:31:04 (43020): 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: 154821321 bytes.
Dumping objects ->
{3835349} normal block at 0x000001E924250A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835338} normal block at 0x000001E924250AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835327} normal block at 0x000001E924250840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835316} normal block at 0x000001E924250920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x000001E9242515D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835274} normal block at 0x000001E9244E4AB0, 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) : {3835261} normal block at 0x000001E922747990, 8 bytes long.
 Data: <  i"&#233;   > 00 00 69 22 E9 01 00 00 
{3833969} normal block at 0x000001E922748250, 8 bytes long.
 Data: < 7T$&#233;   > 80 37 54 24 E9 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E922753950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E92274E4A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001E922754E90, 16 bytes long.
 Data: < [u"&#233;           > 88 5B 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E9227548F0, 16 bytes long.
 Data: <`[u"&#233;           > 60 5B 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E92274C3C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001E9227557A0, 16 bytes long.
 Data: <8[u"&#233;           > 38 5B 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E922755700, 16 bytes long.
 Data: < [u"&#233;           > 10 5B 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E9227555C0, 16 bytes long.
 Data: <&#232;Zu"&#233;           > E8 5A 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E922755570, 16 bytes long.
 Data: <&#192;Zu"&#233;           > C0 5A 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E92274E760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001E922754D00, 16 bytes long.
 Data: <8&#228;t"&#233;           > 38 E4 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E92274CE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001E922755660, 16 bytes long.
 Data: < &#228;t"&#233;           > 10 E4 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E922755520, 16 bytes long.
 Data: <&#232;&#227;t"&#233;           > E8 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E922754CB0, 16 bytes long.
 Data: <&#192;&#227;t"&#233;           > C0 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E922755750, 16 bytes long.
 Data: < &#227;t"&#233;           > 98 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E9227554D0, 16 bytes long.
 Data: <p&#227;t"&#233;           > 70 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E9227548A0, 16 bytes long.
 Data: <H&#227;t"&#233;           > 48 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E92274C780, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001E922754DA0, 16 bytes long.
 Data: < &#227;t"&#233;           > 20 E3 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E92274E320, 320 bytes long.
 Data: <&#160;Mu"&#233;    &#199;t"&#233;   > A0 4D 75 22 E9 01 00 00 80 C7 74 22 E9 01 00 00 
{280} normal block at 0x000001E922755480, 16 bytes long.
 Data: <&#160;Zu"&#233;           > A0 5A 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E922754DF0, 16 bytes long.
 Data: <xZu"&#233;           > 78 5A 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E92274C2A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001E922755160, 16 bytes long.
 Data: <PZu"&#233;           > 50 5A 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E92274C660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001E9227553E0, 16 bytes long.
 Data: < Yu"&#233;           > 98 59 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E922754F30, 16 bytes long.
 Data: <pYu"&#233;           > 70 59 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E922754F80, 16 bytes long.
 Data: <HYu"&#233;           > 48 59 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E922755070, 16 bytes long.
 Data: < Yu"&#233;           > 20 59 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E9227552F0, 16 bytes long.
 Data: <&#248;Xu"&#233;           > F8 58 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E922754AD0, 16 bytes long.
 Data: <&#208;Xu"&#233;           > D0 58 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E922754A30, 16 bytes long.
 Data: < &#230;t"&#233;           > 10 E6 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E92274E610, 40 bytes long.
 Data: <0Ju"&#233;   &#176;JN$&#233;   > 30 4A 75 22 E9 01 00 00 B0 4A 4E 24 E9 01 00 00 
{266} normal block at 0x000001E9227552A0, 16 bytes long.
 Data: <&#176;Xu"&#233;           > B0 58 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E922755200, 16 bytes long.
 Data: < Xu"&#233;           > 88 58 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E92274CC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001E922754BC0, 16 bytes long.
 Data: <`Xu"&#233;           > 60 58 75 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E922755860, 992 bytes long.
 Data: <&#192;Ku"&#233;   `&#204;t"&#233;   > C0 4B 75 22 E9 01 00 00 60 CC 74 22 E9 01 00 00 
{98} normal block at 0x000001E92274C240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001E922747AD0, 16 bytes long.
 Data: <&#160;&#236;t"&#233;           > A0 EC 74 22 E9 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E92274ECA0, 40 bytes long.
 Data: <&#208;zt"&#233;   @&#194;t"&#233;   > D0 7A 74 22 E9 01 00 00 40 C2 74 22 E9 01 00 00 
{75} normal block at 0x000001E9227478A0, 16 bytes long.
 Data: < &#234;Z&#223;&#247;           > 80 EA 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E922747850, 16 bytes long.
 Data: <@&#233;Z&#223;&#247;           > 40 E9 5A DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E922747B70, 16 bytes long.
 Data: <&#248;WW&#223;&#247;           > F8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E9227482A0, 16 bytes long.
 Data: <&#216;WW&#223;&#247;           > D8 57 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E922748020, 16 bytes long.
 Data: <P W&#223;&#247;           > 50 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E922747BC0, 16 bytes long.
 Data: <0 W&#223;&#247;           > 30 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E922747940, 16 bytes long.
 Data: <&#224; W&#223;&#247;           > E0 02 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E922747530, 16 bytes long.
 Data: <  W&#223;&#247;           > 10 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E9227475D0, 16 bytes long.
 Data: <p W&#223;&#247;           > 70 04 57 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E922748390, 16 bytes long.
 Data: < &#192;U&#223;&#247;           > 18 C0 55 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra