Task 38694657

Name test_158-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7251_0
Workunit 31635392
Created 31 Oct 2026, 0:48:29 UTC
Sent 31 Oct 2026, 0:48:33 UTC
Report deadline 5 Nov 2026, 0:48:33 UTC
Received 31 Oct 2026, 2:17:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 46 min 1 sec
CPU time 44 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.15 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:31:19 (25448): wrapper (7.9.26016): starting
18:31:19 (25448): 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
18:31:20 (25448): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:31:20 (25448): 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\2\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\2\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
19:16:37 (25448): C:/Windows/system32/cmd.exe exited; CPU time 2673.343750
19:16:37 (25448): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 89257719 bytes.
Dumping objects ->
{3835638} normal block at 0x000001C2A71A0250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000001C2A71A0C60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000001C2A71A0720, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000001C2A719FFB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x000001C2A71A06B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x000001C2A719E870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000001C2A9002E60, 102 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) : {3835549} normal block at 0x000001C2A716E270, 8 bytes long.
 Data: <  k&#167;&#194;   > 00 00 6B A7 C2 01 00 00 
{3834742} normal block at 0x000001C2A90031D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x000001C2A716DCD0, 8 bytes long.
 Data: <@  &#169;&#194;   > 40 90 07 A9 C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001C2A7172F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001C2A7169730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000001C2A717A140, 16 bytes long.
 Data: <h&#171; &#167;&#194;           > 68 AB 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001C2A717A4B0, 16 bytes long.
 Data: <@&#171; &#167;&#194;           > 40 AB 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001C2A7175E20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000001C2A7179D80, 16 bytes long.
 Data: < &#171; &#167;&#194;           > 18 AB 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001C2A7179CE0, 16 bytes long.
 Data: <&#240;&#170; &#167;&#194;           > F0 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001C2A7179C40, 16 bytes long.
 Data: <&#200;&#170; &#167;&#194;           > C8 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C2A717A7D0, 16 bytes long.
 Data: <&#160;&#170; &#167;&#194;           > A0 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001C2A7178340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000001C2A717A410, 16 bytes long.
 Data: <xN &#167;&#194;           > 78 4E 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C2A7175640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000001C2A71798D0, 16 bytes long.
 Data: <PN &#167;&#194;           > 50 4E 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C2A717A690, 16 bytes long.
 Data: <(N &#167;&#194;           > 28 4E 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C2A717A500, 16 bytes long.
 Data: < N &#167;&#194;           > 00 4E 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C2A717A3C0, 16 bytes long.
 Data: <&#216;M &#167;&#194;           > D8 4D 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C2A717A0F0, 16 bytes long.
 Data: <&#176;M &#167;&#194;           > B0 4D 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C2A717A780, 16 bytes long.
 Data: < M &#167;&#194;           > 88 4D 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C2A7175DC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000001C2A717A460, 16 bytes long.
 Data: <`M &#167;&#194;           > 60 4D 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C2A7174D60, 320 bytes long.
 Data: <`&#164; &#167;&#194;   &#192;] &#167;&#194;   > 60 A4 17 A7 C2 01 00 00 C0 5D 17 A7 C2 01 00 00 
{289} normal block at 0x000001C2A7179F10, 16 bytes long.
 Data: < &#170; &#167;&#194;           > 80 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C2A7179B00, 16 bytes long.
 Data: <X&#170; &#167;&#194;           > 58 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C2A7176000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000001C2A7179970, 16 bytes long.
 Data: <0&#170; &#167;&#194;           > 30 AA 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C2A71753A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000001C2A717A550, 16 bytes long.
 Data: <x&#169; &#167;&#194;           > 78 A9 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C2A717A0A0, 16 bytes long.
 Data: <P&#169; &#167;&#194;           > 50 A9 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C2A717A370, 16 bytes long.
 Data: <(&#169; &#167;&#194;           > 28 A9 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C2A717A2D0, 16 bytes long.
 Data: < &#169; &#167;&#194;           > 00 A9 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C2A717A050, 16 bytes long.
 Data: <&#216;&#168; &#167;&#194;           > D8 A8 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C2A7179AB0, 16 bytes long.
 Data: <&#176;&#168; &#167;&#194;           > B0 A8 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C2A7179DD0, 16 bytes long.
 Data: <&#224;&#133; &#167;&#194;           > E0 85 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C2A71785E0, 40 bytes long.
 Data: <&#208;  &#167;&#194;   p&#232; &#167;&#194;   > D0 9D 17 A7 C2 01 00 00 70 E8 19 A7 C2 01 00 00 
{275} normal block at 0x000001C2A7179BA0, 16 bytes long.
 Data: < &#168; &#167;&#194;           > 90 A8 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C2A7179B50, 16 bytes long.
 Data: <h&#168; &#167;&#194;           > 68 A8 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C2A7175D60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000001C2A717A230, 16 bytes long.
 Data: <@&#168; &#167;&#194;           > 40 A8 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C2A717A840, 992 bytes long.
 Data: <0&#162; &#167;&#194;   `] &#167;&#194;   > 30 A2 17 A7 C2 01 00 00 60 5D 17 A7 C2 01 00 00 
{107} normal block at 0x000001C2A71761E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000001C2A716E180, 16 bytes long.
 Data: <&#240;  &#167;&#194;           > F0 81 17 A7 C2 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001C2A71781F0, 40 bytes long.
 Data: < &#225; &#167;&#194;   &#224;a &#167;&#194;   > 80 E1 16 A7 C2 01 00 00 E0 61 17 A7 C2 01 00 00 
{84} normal block at 0x000001C2A716E130, 16 bytes long.
 Data: < &#234;.&#245;&#246;           > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001C2A716E8B0, 16 bytes long.
 Data: <@&#233;.&#245;&#246;           > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001C2A716E360, 16 bytes long.
 Data: <&#248;W+&#245;&#246;           > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001C2A716E630, 16 bytes long.
 Data: <&#216;W+&#245;&#246;           > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001C2A716E090, 16 bytes long.
 Data: <P +&#245;&#246;           > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001C2A716E950, 16 bytes long.
 Data: <0 +&#245;&#246;           > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001C2A716DAF0, 16 bytes long.
 Data: <&#224; +&#245;&#246;           > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001C2A716EA40, 16 bytes long.
 Data: <  +&#245;&#246;           > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C2A716E1D0, 16 bytes long.
 Data: <p +&#245;&#246;           > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001C2A716E3B0, 16 bytes long.
 Data: < &#192;)&#245;&#246;           > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra