Task 38684165

Name test_272-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0811_0
Workunit 31625686
Created 27 Oct 2026, 14:59:24 UTC
Sent 27 Oct 2026, 14:59:37 UTC
Report deadline 1 Nov 2026, 14:59:37 UTC
Received 27 Oct 2026, 15:34:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 32 min
CPU time 29 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.14 MB
Peak swap size 14.46 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:03:34 (25984): wrapper (7.9.26016): starting
16:03:34 (25984): 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
16:03:35 (25984): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:03:35 (25984): 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_GPUGRID\slots\1\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_GPUGRID\slots\1\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
16:33:53 (25984): C:/Windows/system32/cmd.exe exited; CPU time 1780.484375
16:33:53 (25984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 27034563 bytes.
Dumping objects ->
{3835309} normal block at 0x0000015A19E49470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x0000015A17EE5720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x0000015A17EE56B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x0000015A17EE53A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000015A17EE55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x0000015A19E498F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000015A19EA7170, 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) : {3835220} normal block at 0x0000015A17EDD900, 8 bytes long.
 Data: <  &#191; Z   > 00 00 BF 19 5A 01 00 00 
{3834594} normal block at 0x0000015A19EA6DB0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000015A17EDE080, 8 bytes long.
 Data: <`&#170;&#240; Z   > 60 AA F0 17 5A 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000015A17EE2400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015A17ED6540, 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 0x0000015A17EE61A0, 16 bytes long.
 Data: < o&#238; Z           > 88 6F EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015A17EE6150, 16 bytes long.
 Data: <`o&#238; Z           > 60 6F EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015A17EDF710, 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 0x0000015A17EE5CF0, 16 bytes long.
 Data: <8o&#238; Z           > 38 6F EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015A17EE5E80, 16 bytes long.
 Data: < o&#238; Z           > 10 6F EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015A17EE6A10, 16 bytes long.
 Data: <&#232;n&#238; Z           > E8 6E EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015A17EE6380, 16 bytes long.
 Data: <&#192;n&#238; Z           > C0 6E EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015A17EE5250, 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 0x0000015A17EE5CA0, 16 bytes long.
 Data: <(&#247;&#236; Z           > 28 F7 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015A17EDF650, 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 0x0000015A17EE69C0, 16 bytes long.
 Data: < &#247;&#236; Z           > 00 F7 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015A17EE66F0, 16 bytes long.
 Data: <&#216;&#246;&#236; Z           > D8 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015A17EE64C0, 16 bytes long.
 Data: <&#176;&#246;&#236; Z           > B0 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015A17EE6510, 16 bytes long.
 Data: < &#246;&#236; Z           > 88 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015A17EE5FC0, 16 bytes long.
 Data: <`&#246;&#236; Z           > 60 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015A17EE6470, 16 bytes long.
 Data: <8&#246;&#236; Z           > 38 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015A17EE0190, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000015A17EE6830, 16 bytes long.
 Data: < &#246;&#236; Z           > 10 F6 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015A17ECF610, 320 bytes long.
 Data: <0h&#238; Z     &#238; Z   > 30 68 EE 17 5A 01 00 00 90 01 EE 17 5A 01 00 00 
{276} normal block at 0x0000015A17EE6100, 16 bytes long.
 Data: <&#160;n&#238; Z           > A0 6E EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015A17EE6BF0, 16 bytes long.
 Data: <xn&#238; Z           > 78 6E EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015A17EE0430, 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 0x0000015A17EE6420, 16 bytes long.
 Data: <Pn&#238; Z           > 50 6E EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015A17EDF950, 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 0x0000015A17EE67E0, 16 bytes long.
 Data: < m&#238; Z           > 98 6D EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015A17EE6880, 16 bytes long.
 Data: <pm&#238; Z           > 70 6D EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015A17EE6BA0, 16 bytes long.
 Data: <Hm&#238; Z           > 48 6D EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015A17EE5D90, 16 bytes long.
 Data: < m&#238; Z           > 20 6D EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015A17EE66A0, 16 bytes long.
 Data: <&#248;l&#238; Z           > F8 6C EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015A17EE6970, 16 bytes long.
 Data: <&#208;l&#238; Z           > D0 6C EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015A17EE5E30, 16 bytes long.
 Data: < T&#238; Z           > 10 54 EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015A17EE5410, 40 bytes long.
 Data: <0^&#238; Z   &#240; &#228; Z   > 30 5E EE 17 5A 01 00 00 F0 98 E4 19 5A 01 00 00 
{262} normal block at 0x0000015A17EE6920, 16 bytes long.
 Data: <&#176;l&#238; Z           > B0 6C EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015A17EE5F70, 16 bytes long.
 Data: < l&#238; Z           > 88 6C EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015A17EE0370, 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 0x0000015A17EE6330, 16 bytes long.
 Data: <`l&#238; Z           > 60 6C EE 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015A17EE6C60, 992 bytes long.
 Data: <0c&#238; Z   p &#238; Z   > 30 63 EE 17 5A 01 00 00 70 03 EE 17 5A 01 00 00 
{94} normal block at 0x0000015A17EDF6B0, 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 0x0000015A17EDDAE0, 16 bytes long.
 Data: <&#160;&#242;&#236; Z           > A0 F2 EC 17 5A 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000015A17ECF2A0, 40 bytes long.
 Data: <&#224;&#218;&#237; Z   &#176;&#246;&#237; Z   > E0 DA ED 17 5A 01 00 00 B0 F6 ED 17 5A 01 00 00 
{71} normal block at 0x0000015A17EDE170, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000015A17EDE210, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015A17EDDA90, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015A17EDE5D0, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015A17EDD810, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015A17EDE120, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015A17EDE4E0, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015A17EDDEA0, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015A17EDE030, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015A17EDDA40, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra