Task 38685322

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1884_1
Workunit 31626793
Created 27 Oct 2026, 20:29:36 UTC
Sent 27 Oct 2026, 20:29:47 UTC
Report deadline 1 Nov 2026, 20:29:47 UTC
Received 27 Oct 2026, 21:34:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619246
Run time 1 hours 1 min 19 sec
CPU time 57 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.14 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:35:33 (33724): wrapper (7.9.26016): starting
15:35:33 (33724): 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
15:35:34 (33724): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:35:34 (33724): 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\25\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\25\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: Exiting with failure status due to previous errors
16:33:21 (33724): C:/Windows/system32/cmd.exe exited; CPU time 3432.171875
16:33:21 (33724): 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: 68754285 bytes.
Dumping objects ->
{3835492} normal block at 0x0000017528315570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000175283155E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000017528315340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x0000017528315420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x0000017528315260, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x000001752A038630, 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) : {3835404} normal block at 0x000001752830E000, 8 bytes long.
 Data: <  n(u   > 00 00 6E 28 75 01 00 00 
{3833961} normal block at 0x000001752830E050, 8 bytes long.
 Data: <&#160;&#221;/(u   > A0 DD 2F 28 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017528311BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017528306170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000017528315B40, 16 bytes long.
 Data: <&#248;k1(u           > F8 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017528315F50, 16 bytes long.
 Data: <&#208;k1(u           > D0 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001752830F5F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000175283160E0, 16 bytes long.
 Data: <&#168;k1(u           > A8 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175283164A0, 16 bytes long.
 Data: < k1(u           > 80 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017528315AF0, 16 bytes long.
 Data: <Xk1(u           > 58 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017528316310, 16 bytes long.
 Data: <0k1(u           > 30 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017528315110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000175283161D0, 16 bytes long.
 Data: <&#232;M1(u           > E8 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001752830F710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000017528315AA0, 16 bytes long.
 Data: <&#192;M1(u           > C0 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017528316090, 16 bytes long.
 Data: < M1(u           > 98 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017528315910, 16 bytes long.
 Data: <pM1(u           > 70 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017528316450, 16 bytes long.
 Data: <HM1(u           > 48 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017528315D70, 16 bytes long.
 Data: < M1(u           > 20 4D 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175283167C0, 16 bytes long.
 Data: <&#248;L1(u           > F8 4C 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001752830FE90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000017528315A00, 16 bytes long.
 Data: <&#208;L1(u           > D0 4C 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017528314CD0, 320 bytes long.
 Data: < Z1(u    &#254;0(u   > 00 5A 31 28 75 01 00 00 90 FE 30 28 75 01 00 00 
{276} normal block at 0x00000175283162C0, 16 bytes long.
 Data: < k1(u           > 10 6B 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017528315960, 16 bytes long.
 Data: <&#232;j1(u           > E8 6A 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001752830FD70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000017528316220, 16 bytes long.
 Data: <&#192;j1(u           > C0 6A 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001752830F290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000017528315EB0, 16 bytes long.
 Data: < j1(u           > 08 6A 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000175283164F0, 16 bytes long.
 Data: <&#224;i1(u           > E0 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017528316400, 16 bytes long.
 Data: <&#184;i1(u           > B8 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017528315A50, 16 bytes long.
 Data: < i1(u           > 90 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017528315E10, 16 bytes long.
 Data: <hi1(u           > 68 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017528315C30, 16 bytes long.
 Data: <@i1(u           > 40 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175283163B0, 16 bytes long.
 Data: <&#192;O1(u           > C0 4F 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017528314FC0, 40 bytes long.
 Data: <&#176;c1(u   0&#134; *u   > B0 63 31 28 75 01 00 00 30 86 03 2A 75 01 00 00 
{262} normal block at 0x0000017528316270, 16 bytes long.
 Data: < i1(u           > 20 69 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017528315D20, 16 bytes long.
 Data: <&#248;h1(u           > F8 68 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001752830F830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000017528315F00, 16 bytes long.
 Data: <&#208;h1(u           > D0 68 31 28 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000175283168D0, 992 bytes long.
 Data: < _1(u   0&#248;0(u   > 00 5F 31 28 75 01 00 00 30 F8 30 28 75 01 00 00 
{94} normal block at 0x000001752830FBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001752830E0A0, 16 bytes long.
 Data: < &#239;0(u           > 10 EF 30 28 75 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001752830EF10, 40 bytes long.
 Data: <&#160;&#224;0(u   &#240;&#251;0(u   > A0 E0 30 28 75 01 00 00 F0 FB 30 28 75 01 00 00 
{71} normal block at 0x000001752830D740, 16 bytes long.
 Data: < &#234; &#135;&#246;           > 80 EA 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001752830D6F0, 16 bytes long.
 Data: <@&#233; &#135;&#246;           > 40 E9 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001752830DF60, 16 bytes long.
 Data: <&#248;W &#135;&#246;           > F8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001752830DFB0, 16 bytes long.
 Data: <&#216;W &#135;&#246;           > D8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001752830D650, 16 bytes long.
 Data: <P  &#135;&#246;           > 50 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001752830D510, 16 bytes long.
 Data: <0  &#135;&#246;           > 30 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001752830D3D0, 16 bytes long.
 Data: <&#224;  &#135;&#246;           > E0 02 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001752830D6A0, 16 bytes long.
 Data: <   &#135;&#246;           > 10 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001752830D470, 16 bytes long.
 Data: <p  &#135;&#246;           > 70 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001752830D790, 16 bytes long.
 Data: < &#192;	&#135;&#246;           > 18 C0 09 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra