Task 38661276

Name test_1173-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND0074_1
Workunit 31604562
Created 24 Oct 2026, 15:30:03 UTC
Sent 24 Oct 2026, 15:39:33 UTC
Report deadline 29 Oct 2026, 15:39:33 UTC
Received 24 Oct 2026, 15:58:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 16 min 51 sec
CPU time 16 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.77 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:42:08 (54868): wrapper (7.9.26016): starting
17:42:08 (54868): 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
17:42:09 (54868): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:42:09 (54868): 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\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 'C:\ProgramData\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
17:58:20 (54868): C:/Windows/system32/cmd.exe exited; CPU time 972.718750
17:58:20 (54868): 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: 17773337 bytes.
Dumping objects ->
{3835250} normal block at 0x000001F19AFBF980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001F19AFBFDE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001F19AFC0400, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001F199217800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001F1992176B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001F19B007310, 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) : {3835162} normal block at 0x000001F19920F5F0, 8 bytes long.
 Data: <  o &#241;   > 00 00 6F 99 F1 01 00 00 
{3833969} normal block at 0x000001F199210400, 8 bytes long.
 Data: <@&#234;. &#241;   > 40 EA 2E 99 F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F1992106F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F199208DA0, 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 0x000001F199217A60, 16 bytes long.
 Data: <H&#141;! &#241;           > 48 8D 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F1992180F0, 16 bytes long.
 Data: < &#141;! &#241;           > 20 8D 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F199212110, 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 0x000001F199217D30, 16 bytes long.
 Data: <&#248;&#140;! &#241;           > F8 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F199217BA0, 16 bytes long.
 Data: <&#208;&#140;! &#241;           > D0 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F199217DD0, 16 bytes long.
 Data: <&#168;&#140;! &#241;           > A8 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F199217C40, 16 bytes long.
 Data: < &#140;! &#241;           > 80 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1992173A0, 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 0x000001F199218910, 16 bytes long.
 Data: <&#200;   &#241;           > C8 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F199212950, 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 0x000001F199217D80, 16 bytes long.
 Data: <&#160;   &#241;           > A0 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1992180A0, 16 bytes long.
 Data: <x   &#241;           > 78 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F199218140, 16 bytes long.
 Data: <P   &#241;           > 50 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F199218050, 16 bytes long.
 Data: <(   &#241;           > 28 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F199218000, 16 bytes long.
 Data: <    &#241;           > 00 BD 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F199217F60, 16 bytes long.
 Data: <&#216;&#188;  &#241;           > D8 BC 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1992124D0, 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 0x000001F1992188C0, 16 bytes long.
 Data: <&#176;&#188;  &#241;           > B0 BC 1F 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1991FBCB0, 320 bytes long.
 Data: <&#192; ! &#241;   &#208;$! &#241;   > C0 88 21 99 F1 01 00 00 D0 24 21 99 F1 01 00 00 
{280} normal block at 0x000001F199218820, 16 bytes long.
 Data: <`&#140;! &#241;           > 60 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F1992189B0, 16 bytes long.
 Data: <8&#140;! &#241;           > 38 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F199212290, 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 0x000001F199217C90, 16 bytes long.
 Data: < &#140;! &#241;           > 10 8C 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F199212650, 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 0x000001F1992182D0, 16 bytes long.
 Data: <X&#139;! &#241;           > 58 8B 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F199217AB0, 16 bytes long.
 Data: <0&#139;! &#241;           > 30 8B 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F199218640, 16 bytes long.
 Data: < &#139;! &#241;           > 08 8B 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F1992185A0, 16 bytes long.
 Data: <&#224;&#138;! &#241;           > E0 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F199217FB0, 16 bytes long.
 Data: <&#184;&#138;! &#241;           > B8 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F199218780, 16 bytes long.
 Data: < &#138;! &#241;           > 90 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F199218730, 16 bytes long.
 Data: <0s! &#241;           > 30 73 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F199217330, 40 bytes long.
 Data: <0&#135;! &#241;    s &#155;&#241;   > 30 87 21 99 F1 01 00 00 10 73 00 9B F1 01 00 00 
{266} normal block at 0x000001F199218230, 16 bytes long.
 Data: <p&#138;! &#241;           > 70 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F199218550, 16 bytes long.
 Data: <H&#138;! &#241;           > 48 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F1992120B0, 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 0x000001F199218500, 16 bytes long.
 Data: < &#138;! &#241;           > 20 8A 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F199218A20, 992 bytes long.
 Data: < &#133;! &#241;   &#176; ! &#241;   > 00 85 21 99 F1 01 00 00 B0 20 21 99 F1 01 00 00 
{98} normal block at 0x000001F199212CB0, 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 0x000001F19920F730, 16 bytes long.
 Data: < t! &#241;           > 80 74 21 99 F1 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001F199217480, 40 bytes long.
 Data: <0&#247;  &#241;   &#176;,! &#241;   > 30 F7 20 99 F1 01 00 00 B0 2C 21 99 F1 01 00 00 
{75} normal block at 0x000001F19920FAF0, 16 bytes long.
 Data: < &#234;&#148;q&#246;           > 80 EA 94 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F19920FA00, 16 bytes long.
 Data: <@&#233;&#148;q&#246;           > 40 E9 94 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F199210360, 16 bytes long.
 Data: <&#248;W&#145;q&#246;           > F8 57 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F19920F9B0, 16 bytes long.
 Data: <&#216;W&#145;q&#246;           > D8 57 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F19920FE10, 16 bytes long.
 Data: <P &#145;q&#246;           > 50 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F19920FD70, 16 bytes long.
 Data: <0 &#145;q&#246;           > 30 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F1992103B0, 16 bytes long.
 Data: <&#224; &#145;q&#246;           > E0 02 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F19920F870, 16 bytes long.
 Data: <  &#145;q&#246;           > 10 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F199210040, 16 bytes long.
 Data: <p &#145;q&#246;           > 70 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F19920FD20, 16 bytes long.
 Data: < &#192;&#143;q&#246;           > 18 C0 8F 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra