Task 38668382

Name test_628-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5475_0
Workunit 31610914
Created 25 Oct 2026, 11:35:04 UTC
Sent 25 Oct 2026, 11:35:12 UTC
Report deadline 30 Oct 2026, 11:35:12 UTC
Received 25 Oct 2026, 12:07:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643627
Run time 19 min 9 sec
CPU time 17 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.85 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:36:25 (10992): wrapper (7.9.26016): starting
06:36:25 (10992): 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
06:36:27 (10992): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:36:27 (10992): 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\14\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\14\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
06:54:39 (10992): C:/Windows/system32/cmd.exe exited; CPU time 1032.781250
06:54:39 (10992): 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: 23909673 bytes.
Dumping objects ->
{3835497} normal block at 0x0000018B66695910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000018B66695830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000018B666957C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835464} normal block at 0x0000018B666954B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835453} normal block at 0x0000018B66695360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835422} normal block at 0x0000018B68405AD0, 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) : {3835409} normal block at 0x0000018B66690630, 8 bytes long.
 Data: <  ef&#139;   > 00 00 65 66 8B 01 00 00 
{3833969} normal block at 0x0000018B666907C0, 8 bytes long.
 Data: <&#160;Lif&#139;   > A0 4C 69 66 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018B66691B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018B66686860, 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 0x0000018B66696AC0, 16 bytes long.
 Data: <&#184;rif&#139;           > B8 72 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018B66696610, 16 bytes long.
 Data: < rif&#139;           > 90 72 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018B6668E680, 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 0x0000018B66696A20, 16 bytes long.
 Data: <hrif&#139;           > 68 72 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018B66696480, 16 bytes long.
 Data: <@rif&#139;           > 40 72 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018B666964D0, 16 bytes long.
 Data: < rif&#139;           > 18 72 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018B66696390, 16 bytes long.
 Data: <&#240;qif&#139;           > F0 71 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018B66695670, 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 0x0000018B66696340, 16 bytes long.
 Data: <&#248;&#249;gf&#139;           > F8 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018B6668DF60, 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 0x0000018B66696570, 16 bytes long.
 Data: <&#208;&#249;gf&#139;           > D0 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018B666962F0, 16 bytes long.
 Data: <&#168;&#249;gf&#139;           > A8 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018B66696750, 16 bytes long.
 Data: < &#249;gf&#139;           > 80 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018B66696520, 16 bytes long.
 Data: <X&#249;gf&#139;           > 58 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018B666969D0, 16 bytes long.
 Data: <0&#249;gf&#139;           > 30 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018B66696F20, 16 bytes long.
 Data: < &#249;gf&#139;           > 08 F9 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018B6668DE40, 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 0x0000018B66696930, 16 bytes long.
 Data: <&#224;&#248;gf&#139;           > E0 F8 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018B6667F8E0, 320 bytes long.
 Data: <0iif&#139;   @&#222;hf&#139;   > 30 69 69 66 8B 01 00 00 40 DE 68 66 8B 01 00 00 
{280} normal block at 0x0000018B66696430, 16 bytes long.
 Data: <&#208;qif&#139;           > D0 71 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018B666963E0, 16 bytes long.
 Data: <&#168;qif&#139;           > A8 71 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018B6668E620, 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 0x0000018B666968E0, 16 bytes long.
 Data: < qif&#139;           > 80 71 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018B6668E4A0, 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 0x0000018B66696980, 16 bytes long.
 Data: <&#200;pif&#139;           > C8 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018B666967F0, 16 bytes long.
 Data: <&#160;pif&#139;           > A0 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018B66696890, 16 bytes long.
 Data: <xpif&#139;           > 78 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018B666965C0, 16 bytes long.
 Data: <Ppif&#139;           > 50 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018B666962A0, 16 bytes long.
 Data: <(pif&#139;           > 28 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018B66696D40, 16 bytes long.
 Data: < pif&#139;           > 00 70 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018B66696660, 16 bytes long.
 Data: < Uif&#139;           > 90 55 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018B66695590, 40 bytes long.
 Data: <`fif&#139;   &#208;Z@h&#139;   > 60 66 69 66 8B 01 00 00 D0 5A 40 68 8B 01 00 00 
{266} normal block at 0x0000018B66696700, 16 bytes long.
 Data: <&#224;oif&#139;           > E0 6F 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018B66696ED0, 16 bytes long.
 Data: <&#184;oif&#139;           > B8 6F 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018B6668DCC0, 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 0x0000018B666966B0, 16 bytes long.
 Data: < oif&#139;           > 90 6F 69 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018B66696F90, 992 bytes long.
 Data: <&#176;fif&#139;   &#192;&#220;hf&#139;   > B0 66 69 66 8B 01 00 00 C0 DC 68 66 8B 01 00 00 
{98} normal block at 0x0000018B6668DDE0, 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 0x0000018B666906D0, 16 bytes long.
 Data: <@&#241;gf&#139;           > 40 F1 67 66 8B 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000018B6667F140, 40 bytes long.
 Data: <&#208; if&#139;   &#224;&#221;hf&#139;   > D0 06 69 66 8B 01 00 00 E0 DD 68 66 8B 01 00 00 
{75} normal block at 0x0000018B666901D0, 16 bytes long.
 Data: < &#234;&#247;&#208;&#246;           > 80 EA F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000018B66690A40, 16 bytes long.
 Data: <@&#233;&#247;&#208;&#246;           > 40 E9 F7 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018B666904A0, 16 bytes long.
 Data: <&#248;W&#244;&#208;&#246;           > F8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018B66690180, 16 bytes long.
 Data: <&#216;W&#244;&#208;&#246;           > D8 57 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018B6668FB90, 16 bytes long.
 Data: <P &#244;&#208;&#246;           > 50 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018B6668FE60, 16 bytes long.
 Data: <0 &#244;&#208;&#246;           > 30 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018B6668FF00, 16 bytes long.
 Data: <&#224; &#244;&#208;&#246;           > E0 02 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018B666905E0, 16 bytes long.
 Data: <  &#244;&#208;&#246;           > 10 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018B66690680, 16 bytes long.
 Data: <p &#244;&#208;&#246;           > 70 04 F4 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018B66690540, 16 bytes long.
 Data: < &#192;&#242;&#208;&#246;           > 18 C0 F2 D0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra