Task 38669666

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5744_0
Workunit 31611983
Created 25 Oct 2026, 15:14:43 UTC
Sent 25 Oct 2026, 15:14:47 UTC
Report deadline 30 Oct 2026, 15:14:47 UTC
Received 25 Oct 2026, 16:58:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 23 sec
CPU time 24 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.98 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:30:30 (17920): wrapper (7.9.26016): starting
12:30:30 (17920): 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
12:30:31 (17920): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:30:31 (17920): 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\21\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\21\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
12:57:20 (17920): C:/Windows/system32/cmd.exe exited; CPU time 1487.906250
12:57:20 (17920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 31609033 bytes.
Dumping objects ->
{3835236} normal block at 0x0000024541D04CF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000024541D04AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000024541D04C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000024541D05150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000024541D04E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000024543987D80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002454399F2E0, 103 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) : {3835147} normal block at 0x0000024541CFF1A0, 8 bytes long.
 Data: <   BE   > 00 00 1D 42 45 02 00 00 
{3834543} normal block at 0x000002454399EB50, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000024541CFF240, 8 bytes long.
 Data: <`&#130;&#151;CE   > 60 82 97 43 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024541D00C70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024541CF6820, 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 0x0000024541D058E0, 16 bytes long.
 Data: <Hi&#208;AE           > 48 69 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024541D056B0, 16 bytes long.
 Data: < i&#208;AE           > 20 69 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024541CFFB20, 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 0x0000024541D06330, 16 bytes long.
 Data: <&#248;h&#208;AE           > F8 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024541D06060, 16 bytes long.
 Data: <&#208;h&#208;AE           > D0 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024541D06290, 16 bytes long.
 Data: <&#168;h&#208;AE           > A8 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024541D05660, 16 bytes long.
 Data: < h&#208;AE           > 80 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024541D04BA0, 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 0x0000024541D06010, 16 bytes long.
 Data: <X&#232;&#207;AE           > 58 E8 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024541D000C0, 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 0x0000024541D061F0, 16 bytes long.
 Data: <0&#232;&#207;AE           > 30 E8 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024541D06150, 16 bytes long.
 Data: < &#232;&#207;AE           > 08 E8 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024541D06100, 16 bytes long.
 Data: <&#224;&#231;&#207;AE           > E0 E7 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024541D065B0, 16 bytes long.
 Data: <&#184;&#231;&#207;AE           > B8 E7 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024541D05FC0, 16 bytes long.
 Data: < &#231;&#207;AE           > 90 E7 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024541D05B60, 16 bytes long.
 Data: <h&#231;&#207;AE           > 68 E7 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024541D00060, 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 0x0000024541D060B0, 16 bytes long.
 Data: <@&#231;&#207;AE           > 40 E7 CF 41 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024541CFE740, 320 bytes long.
 Data: <&#176;`&#208;AE   ` &#208;AE   > B0 60 D0 41 45 02 00 00 60 00 D0 41 45 02 00 00 
{275} normal block at 0x0000024541D063D0, 16 bytes long.
 Data: <`h&#208;AE           > 60 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024541D06470, 16 bytes long.
 Data: <8h&#208;AE           > 38 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024541CFFFA0, 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 0x0000024541D05840, 16 bytes long.
 Data: < h&#208;AE           > 10 68 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024541D00840, 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 0x0000024541D05DE0, 16 bytes long.
 Data: <Xg&#208;AE           > 58 67 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024541D05D40, 16 bytes long.
 Data: <0g&#208;AE           > 30 67 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024541D061A0, 16 bytes long.
 Data: < g&#208;AE           > 08 67 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024541D06560, 16 bytes long.
 Data: <&#224;f&#208;AE           > E0 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024541D05D90, 16 bytes long.
 Data: <&#184;f&#208;AE           > B8 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024541D05F20, 16 bytes long.
 Data: < f&#208;AE           > 90 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024541D06510, 16 bytes long.
 Data: < L&#208;AE           > 10 4C D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024541D04C10, 40 bytes long.
 Data: < e&#208;AE    } CE   > 10 65 D0 41 45 02 00 00 80 7D 98 43 45 02 00 00 
{261} normal block at 0x0000024541D064C0, 16 bytes long.
 Data: <pf&#208;AE           > 70 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024541D06240, 16 bytes long.
 Data: <Hf&#208;AE           > 48 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024541D008A0, 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 0x0000024541D05F70, 16 bytes long.
 Data: < f&#208;AE           > 20 66 D0 41 45 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024541D06620, 992 bytes long.
 Data: <p_&#208;AE   &#160; &#208;AE   > 70 5F D0 41 45 02 00 00 A0 08 D0 41 45 02 00 00 
{93} normal block at 0x0000024541D00480, 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 0x0000024541CFFA10, 16 bytes long.
 Data: <&#240;&#221;&#206;AE           > F0 DD CE 41 45 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024541CEDDF0, 40 bytes long.
 Data: < &#250;&#207;AE     &#208;AE   > 10 FA CF 41 45 02 00 00 80 04 D0 41 45 02 00 00 
{70} normal block at 0x0000024541CFF650, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024541CFEE30, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024541CFF0B0, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024541CFF560, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024541CFEC00, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024541CFF470, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024541CFEDE0, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024541CFEBB0, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024541CFEB60, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024541CFEB10, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra