Task 38680975

Name test_818-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3842_0
Workunit 31622668
Created 27 Oct 2026, 2:11:19 UTC
Sent 27 Oct 2026, 2:11:27 UTC
Report deadline 1 Nov 2026, 2:11:27 UTC
Received 27 Oct 2026, 4:01:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 56 min 51 sec
CPU time 49 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.95 MB
Peak swap size 2.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:02:13 (18132): wrapper (7.9.26016): starting
06:02:13 (18132): 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
06:02:19 (18132): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:02:19 (18132): 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 'D:\BOINC\slots\4\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 'D:\BOINC\slots\4\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
06:57:14 (18132): C:/Windows/system32/cmd.exe exited; CPU time 2982.796875
06:57:14 (18132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 41458669 bytes.
Dumping objects ->
{3835529} normal block at 0x000001C0DE4513D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001C0DFF95160, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000001C0DFF951C0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000001C0DFF94380, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000001C0DFF94B00, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000001C0DE451360, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000001C0DE449110, 200 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) : {3835440} normal block at 0x000001C0DE447410, 8 bytes long.
 Data: <  =&#222;&#192;   > 00 00 3D DE C0 01 00 00 
{3834685} normal block at 0x000001C0DE4489A0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001C0DE447370, 8 bytes long.
 Data: <PP&#254;&#223;&#192;   > 50 50 FE DF C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001C0DE451E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C0DE435F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001C0DE4536A0, 16 bytes long.
 Data: <8AE&#222;&#192;           > 38 41 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C0DE453650, 16 bytes long.
 Data: < AE&#222;&#192;           > 10 41 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C0DE44C510, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001C0DE452FC0, 16 bytes long.
 Data: <&#232;@E&#222;&#192;           > E8 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C0DE452DE0, 16 bytes long.
 Data: <&#192;@E&#222;&#192;           > C0 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C0DE452CA0, 16 bytes long.
 Data: < @E&#222;&#192;           > 98 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C0DE4535B0, 16 bytes long.
 Data: <p@E&#222;&#192;           > 70 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C0DE451050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001C0DE453290, 16 bytes long.
 Data: <&#184;^C&#222;&#192;           > B8 5E 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C0DE44BE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001C0DE4538D0, 16 bytes long.
 Data: <&#144;^C&#222;&#192;           > 90 5E 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C0DE453150, 16 bytes long.
 Data: <h^C&#222;&#192;           > 68 5E 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C0DE453BF0, 16 bytes long.
 Data: <@^C&#222;&#192;           > 40 5E 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C0DE453510, 16 bytes long.
 Data: < ^C&#222;&#192;           > 18 5E 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C0DE453560, 16 bytes long.
 Data: <&#240;]C&#222;&#192;           > F0 5D 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C0DE4534C0, 16 bytes long.
 Data: <&#200;]C&#222;&#192;           > C8 5D 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C0DE44C090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001C0DE453BA0, 16 bytes long.
 Data: <&#160;]C&#222;&#192;           > A0 5D 43 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C0DE435DA0, 320 bytes long.
 Data: <&#160;;E&#222;&#192;   &#144;&#192;D&#222;&#192;   > A0 3B 45 DE C0 01 00 00 90 C0 44 DE C0 01 00 00 
{267} normal block at 0x000001C0DE453470, 16 bytes long.
 Data: <P@E&#222;&#192;           > 50 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C0DE453A60, 16 bytes long.
 Data: <(@E&#222;&#192;           > 28 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C0DE44BF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001C0DE4537E0, 16 bytes long.
 Data: < @E&#222;&#192;           > 00 40 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C0DE44B8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001C0DE4532E0, 16 bytes long.
 Data: <H?E&#222;&#192;           > 48 3F 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C0DE453830, 16 bytes long.
 Data: < ?E&#222;&#192;           > 20 3F 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C0DE453B00, 16 bytes long.
 Data: <&#248;>E&#222;&#192;           > F8 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C0DE453600, 16 bytes long.
 Data: <&#208;>E&#222;&#192;           > D0 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C0DE4536F0, 16 bytes long.
 Data: <&#168;>E&#222;&#192;           > A8 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C0DE453380, 16 bytes long.
 Data: <&#128;>E&#222;&#192;           > 80 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C0DE453330, 16 bytes long.
 Data: <0 E&#222;&#192;           > 30 11 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C0DE451130, 40 bytes long.
 Data: <03E&#222;&#192;   ` E&#222;&#192;   > 30 33 45 DE C0 01 00 00 60 13 45 DE C0 01 00 00 
{253} normal block at 0x000001C0DE452D40, 16 bytes long.
 Data: <`>E&#222;&#192;           > 60 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C0DE453790, 16 bytes long.
 Data: <8>E&#222;&#192;           > 38 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001C0DE44BA90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001C0DE453920, 16 bytes long.
 Data: < >E&#222;&#192;           > 10 3E 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001C0DE453E10, 992 bytes long.
 Data: < 9E&#222;&#192;   &#144;&#186;D&#222;&#192;   > 20 39 45 DE C0 01 00 00 90 BA 44 DE C0 01 00 00 
{85} normal block at 0x000001C0DE44C2D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001C0DE446DD0, 16 bytes long.
 Data: <  E&#222;&#192;           > 00 16 45 DE C0 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001C0DE451600, 40 bytes long.
 Data: <&#208;mD&#222;&#192;   &#208;&#194;D&#222;&#192;   > D0 6D 44 DE C0 01 00 00 D0 C2 44 DE C0 01 00 00 
{62} normal block at 0x000001C0DE447000, 16 bytes long.
 Data: <&#128;&#234;8&#145;&#246;           > 80 EA 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C0DE446E70, 16 bytes long.
 Data: <@&#233;8&#145;&#246;           > 40 E9 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C0DE447780, 16 bytes long.
 Data: <&#248;W5&#145;&#246;           > F8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C0DE446BF0, 16 bytes long.
 Data: <&#216;W5&#145;&#246;           > D8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C0DE446B50, 16 bytes long.
 Data: <P 5&#145;&#246;           > 50 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C0DE446D30, 16 bytes long.
 Data: <0 5&#145;&#246;           > 30 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C0DE446C40, 16 bytes long.
 Data: <&#224; 5&#145;&#246;           > E0 02 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001C0DE447280, 16 bytes long.
 Data: <  5&#145;&#246;           > 10 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001C0DE446F60, 16 bytes long.
 Data: <p 5&#145;&#246;           > 70 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001C0DE446B00, 16 bytes long.
 Data: < &#192;3&#145;&#246;           > 18 C0 33 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra