Task 38678042

Name test_424-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND0527_0
Workunit 31619884
Created 26 Oct 2026, 16:11:51 UTC
Sent 26 Oct 2026, 16:11:59 UTC
Report deadline 31 Oct 2026, 16:11:59 UTC
Received 26 Oct 2026, 16:55:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 36 min 24 sec
CPU time 29 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.90 MB
Peak swap size 3.80 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:20:08 (17620): wrapper (7.9.26016): starting
17:20:08 (17620): 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
17:20:10 (17620): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:10 (17620): 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 'E:\BOINC\slots\0\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 'E:\BOINC\slots\0\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
17:55:24 (17620): C:/Windows/system32/cmd.exe exited; CPU time 1774.125000
17:55:24 (17620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 35421017 bytes.
Dumping objects ->
{3835522} normal block at 0x000001B296926480, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x000001B2984A5CD0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x000001B2984A6030, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x000001B2984A5F70, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x000001B2984A5FD0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000001B2969263A0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001B2968F7560, 8 bytes long.
 Data: <    &#178;   > 00 00 1F 98 B2 01 00 00 
{3833955} normal block at 0x000001B2968F6C00, 8 bytes long.
 Data: <&#208;&#232;6 &#178;   > D0 E8 36 98 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B296901730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B2968FCDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001B296902EF0, 16 bytes long.
 Data: <(< &#150;&#178;           > 28 3C 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B296902E00, 16 bytes long.
 Data: < < &#150;&#178;           > 00 3C 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B2968FC4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001B296902770, 16 bytes long.
 Data: <&#216;; &#150;&#178;           > D8 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B296902D10, 16 bytes long.
 Data: <&#176;; &#150;&#178;           > B0 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B296902CC0, 16 bytes long.
 Data: < ; &#150;&#178;           > 88 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B296902D60, 16 bytes long.
 Data: <`; &#150;&#178;           > 60 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B2968FD640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001B296902C70, 16 bytes long.
 Data: <&#216;^&#142;&#150;&#178;           > D8 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B2968FBD30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001B2969031C0, 16 bytes long.
 Data: <&#176;^&#142;&#150;&#178;           > B0 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B296903120, 16 bytes long.
 Data: < ^&#142;&#150;&#178;           > 88 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B296902AE0, 16 bytes long.
 Data: <`^&#142;&#150;&#178;           > 60 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B296902BD0, 16 bytes long.
 Data: <8^&#142;&#150;&#178;           > 38 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B296902720, 16 bytes long.
 Data: < ^&#142;&#150;&#178;           > 10 5E 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B296903440, 16 bytes long.
 Data: <&#232;]&#142;&#150;&#178;           > E8 5D 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B2968FBA90, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x000001B2969026D0, 16 bytes long.
 Data: <&#192;]&#142;&#150;&#178;           > C0 5D 8E 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B2968E5DC0, 320 bytes long.
 Data: <&#208;& &#150;&#178;    &#186; &#150;&#178;   > D0 26 90 96 B2 01 00 00 90 BA 8F 96 B2 01 00 00 
{273} normal block at 0x000001B296902C20, 16 bytes long.
 Data: <@; &#150;&#178;           > 40 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B296902590, 16 bytes long.
 Data: < ; &#150;&#178;           > 18 3B 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B2968FB730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001B2969029A0, 16 bytes long.
 Data: <&#240;: &#150;&#178;           > F0 3A 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B2968FBC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001B2969033F0, 16 bytes long.
 Data: <8: &#150;&#178;           > 38 3A 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B296902DB0, 16 bytes long.
 Data: < : &#150;&#178;           > 10 3A 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B296902E50, 16 bytes long.
 Data: <&#232;9 &#150;&#178;           > E8 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B296903490, 16 bytes long.
 Data: <&#192;9 &#150;&#178;           > C0 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B296902FE0, 16 bytes long.
 Data: < 9 &#150;&#178;           > 98 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B296903300, 16 bytes long.
 Data: <p9 &#150;&#178;           > 70 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B296902630, 16 bytes long.
 Data: <P&#210; &#150;&#178;           > 50 D2 8F 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B2968FD250, 40 bytes long.
 Data: <0& &#150;&#178;   &#160;c&#146;&#150;&#178;   > 30 26 90 96 B2 01 00 00 A0 63 92 96 B2 01 00 00 
{259} normal block at 0x000001B2969033A0, 16 bytes long.
 Data: <P9 &#150;&#178;           > 50 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B296903260, 16 bytes long.
 Data: <(9 &#150;&#178;           > 28 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B2968FB6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001B2969027C0, 16 bytes long.
 Data: < 9 &#150;&#178;           > 00 39 90 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B296903900, 992 bytes long.
 Data: <&#192;' &#150;&#178;   &#208;&#182; &#150;&#178;   > C0 27 90 96 B2 01 00 00 D0 B6 8F 96 B2 01 00 00 
{91} normal block at 0x000001B2968FBDF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001B2968F6AC0, 16 bytes long.
 Data: < &#215; &#150;&#178;           > 20 D7 8F 96 B2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B2968FD720, 40 bytes long.
 Data: <&#192;j &#150;&#178;   &#240;&#189; &#150;&#178;   > C0 6A 8F 96 B2 01 00 00 F0 BD 8F 96 B2 01 00 00 
{68} normal block at 0x000001B2968F7100, 16 bytes long.
 Data: < &#234;j&#140;&#246;           > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B2968F6CA0, 16 bytes long.
 Data: <@&#233;j&#140;&#246;           > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B2968F6A70, 16 bytes long.
 Data: <&#248;Wg&#140;&#246;           > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B2968F7510, 16 bytes long.
 Data: <&#216;Wg&#140;&#246;           > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B2968F6D90, 16 bytes long.
 Data: <P g&#140;&#246;           > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B2968F6D40, 16 bytes long.
 Data: <0 g&#140;&#246;           > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B2968F7150, 16 bytes long.
 Data: <&#224; g&#140;&#246;           > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B2968F6CF0, 16 bytes long.
 Data: <  g&#140;&#246;           > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B2968F68E0, 16 bytes long.
 Data: <p g&#140;&#246;           > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B2968F7420, 16 bytes long.
 Data: < &#192;e&#140;&#246;           > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra