Task 38689727

Name test_554-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1864_0
Workunit 31630960
Created 28 Oct 2026, 23:05:53 UTC
Sent 28 Oct 2026, 23:05:56 UTC
Report deadline 2 Nov 2026, 23:05:56 UTC
Received 28 Oct 2026, 23:48:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 35 min 40 sec
CPU time 33 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,608.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.85 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:12:40 (7436): wrapper (7.9.26016): starting
08:12:40 (7436): 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
08:12:41 (7436): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:12:41 (7436): 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
08:46:59 (7436): C:/Windows/system32/cmd.exe exited; CPU time 1995.984375
08:46:59 (7436): 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: 37204913 bytes.
Dumping objects ->
{3835268} normal block at 0x000001BF86759600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001BF84734630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001BF847345C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001BF84734CC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001BF84734C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001BF86749B00, 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) : {3835180} normal block at 0x000001BF84730C50, 8 bytes long.
 Data: <  p &#191;   > 00 00 70 84 BF 01 00 00 
{3834037} normal block at 0x000001BF84730BB0, 8 bytes long.
 Data: < :} &#191;   > F0 3A 7D 86 BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001BF84726700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BF84727610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001BF84735220, 16 bytes long.
 Data: <&#184;ds &#191;           > B8 64 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BF84735590, 16 bytes long.
 Data: < ds &#191;           > 90 64 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BF8472F2B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001BF84735770, 16 bytes long.
 Data: <hds &#191;           > 68 64 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BF84736120, 16 bytes long.
 Data: <@ds &#191;           > 40 64 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BF84736080, 16 bytes long.
 Data: < ds &#191;           > 18 64 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BF84735680, 16 bytes long.
 Data: < cs &#191;           > F0 63 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BF84734940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001BF84735540, 16 bytes long.
 Data: <  q &#191;           > E8 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF8472FDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001BF84735AE0, 16 bytes long.
 Data: <&#192; q &#191;           > C0 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BF847354F0, 16 bytes long.
 Data: <  q &#191;           > 98 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BF84735D10, 16 bytes long.
 Data: <p q &#191;           > 70 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BF84735EA0, 16 bytes long.
 Data: <H q &#191;           > 48 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BF84736030, 16 bytes long.
 Data: <  q &#191;           > 20 EF 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BF847351D0, 16 bytes long.
 Data: <  q &#191;           > F8 EE 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BF84730090, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001BF84735B80, 16 bytes long.
 Data: <&#208; q &#191;           > D0 EE 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BF8471EED0, 320 bytes long.
 Data: < [s &#191;     s &#191;   > 80 5B 73 84 BF 01 00 00 90 00 73 84 BF 01 00 00 
{271} normal block at 0x000001BF84735DB0, 16 bytes long.
 Data: <&#208;cs &#191;           > D0 63 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BF84735630, 16 bytes long.
 Data: <&#168;cs &#191;           > A8 63 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BF8472F370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001BF84735BD0, 16 bytes long.
 Data: < cs &#191;           > 80 63 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BF8472F1F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001BF84735360, 16 bytes long.
 Data: <&#200;bs &#191;           > C8 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BF847359F0, 16 bytes long.
 Data: < bs &#191;           > A0 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BF84735E50, 16 bytes long.
 Data: <xbs &#191;           > 78 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BF84735310, 16 bytes long.
 Data: <Pbs &#191;           > 50 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BF847360D0, 16 bytes long.
 Data: <(bs &#191;           > 28 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BF847354A0, 16 bytes long.
 Data: < bs &#191;           > 00 62 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BF84735FE0, 16 bytes long.
 Data: < Js &#191;           > 90 4A 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BF84734A90, 40 bytes long.
 Data: < _s &#191;     t &#191;   > E0 5F 73 84 BF 01 00 00 00 9B 74 86 BF 01 00 00 
{257} normal block at 0x000001BF847359A0, 16 bytes long.
 Data: < as &#191;           > E0 61 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BF84735A90, 16 bytes long.
 Data: <&#184;as &#191;           > B8 61 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BF8472F790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001BF84735450, 16 bytes long.
 Data: < as &#191;           > 90 61 73 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001BF84736190, 992 bytes long.
 Data: <PTs &#191;     r &#191;   > 50 54 73 84 BF 01 00 00 90 F7 72 84 BF 01 00 00 
{89} normal block at 0x000001BF8472FB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001BF84730AC0, 16 bytes long.
 Data: < &#194;q &#191;           > A0 C2 71 84 BF 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001BF8471C2A0, 40 bytes long.
 Data: <&#192; s &#191;   P r &#191;   > C0 0A 73 84 BF 01 00 00 50 FB 72 84 BF 01 00 00 
{64} normal block at 0x000001BF84730F70, 16 bytes long.
 Data: <  q&#162;            > 80 EA 71 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BF84730D90, 16 bytes long.
 Data: <@ q&#162;            > 40 E9 71 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BF847303E0, 16 bytes long.
 Data: < Wn&#162;            > F8 57 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BF84730520, 16 bytes long.
 Data: <&#216;Wn&#162;            > D8 57 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BF84730340, 16 bytes long.
 Data: <P n&#162;            > 50 04 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BF84730E30, 16 bytes long.
 Data: <0 n&#162;            > 30 04 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BF84730A70, 16 bytes long.
 Data: <  n&#162;            > E0 02 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001BF84730570, 16 bytes long.
 Data: <  n&#162;            > 10 04 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001BF84731100, 16 bytes long.
 Data: <p n&#162;            > 70 04 6E A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001BF84730F20, 16 bytes long.
 Data: < &#192;l&#162;            > 18 C0 6C A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra