Task 38688943

Name test_244-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7641_0
Workunit 31630235
Created 28 Oct 2026, 17:08:12 UTC
Sent 28 Oct 2026, 17:08:13 UTC
Report deadline 2 Nov 2026, 17:08:13 UTC
Received 28 Oct 2026, 18:09:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 1 hours 0 min 14 sec
CPU time 54 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.46 MB
Peak swap size 11.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:10:49 (16584): wrapper (7.9.26016): starting
18:10:49 (16584): 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
18:10:52 (16584): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:10:52 (16584): 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\28\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\28\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
19:08:45 (16584): C:/Windows/system32/cmd.exe exited; CPU time 3296.328125
19:08:45 (16584): 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: 48020047 bytes.
Dumping objects ->
{3835220} normal block at 0x0000020B6AF96540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000020B6AF96000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000020B6AF962A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x0000020B6AF96070, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x0000020B6AF96150, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x0000020B6CB7BD00, 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) : {3835132} normal block at 0x0000020B6AF67E30, 8 bytes long.
 Data: <   l    > 00 00 8D 6C 0B 02 00 00 
{3833949} normal block at 0x0000020B6AF67B60, 8 bytes long.
 Data: <0 &#180;l    > 30 99 B4 6C 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020B6AF70ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B6AF55C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020B6AF71E20, 16 bytes long.
 Data: < 5&#247;j            > 08 35 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B6AF72AA0, 16 bytes long.
 Data: <&#224;4&#247;j            > E0 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B6AF6DC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020B6AF72460, 16 bytes long.
 Data: <&#184;4&#247;j            > B8 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B6AF724B0, 16 bytes long.
 Data: < 4&#247;j            > 90 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020B6AF71FB0, 16 bytes long.
 Data: <h4&#247;j            > 68 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B6AF72190, 16 bytes long.
 Data: <@4&#247;j            > 40 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B6AF6C5B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020B6AF72A50, 16 bytes long.
 Data: < \&#245;j            > 08 5C F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B6AF6D810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020B6AF72D70, 16 bytes long.
 Data: <&#224;[&#245;j            > E0 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B6AF72C80, 16 bytes long.
 Data: <&#184;[&#245;j            > B8 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020B6AF72A00, 16 bytes long.
 Data: < [&#245;j            > 90 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B6AF729B0, 16 bytes long.
 Data: <h[&#245;j            > 68 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B6AF723C0, 16 bytes long.
 Data: <@[&#245;j            > 40 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B6AF72690, 16 bytes long.
 Data: < [&#245;j            > 18 5B F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B6AF6E0B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020B6AF725A0, 16 bytes long.
 Data: <&#240;Z&#245;j            > F0 5A F5 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B6AF55AF0, 320 bytes long.
 Data: <&#160;%&#247;j    &#176;&#224;&#246;j    > A0 25 F7 6A 0B 02 00 00 B0 E0 F6 6A 0B 02 00 00 
{270} normal block at 0x0000020B6AF72370, 16 bytes long.
 Data: < 4&#247;j            > 20 34 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B6AF72230, 16 bytes long.
 Data: <&#248;3&#247;j            > F8 33 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B6AF6D450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020B6AF71E70, 16 bytes long.
 Data: <&#208;3&#247;j            > D0 33 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B6AF6D750, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020B6AF72550, 16 bytes long.
 Data: < 3&#247;j            > 18 33 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B6AF728C0, 16 bytes long.
 Data: <&#240;2&#247;j            > F0 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B6AF72D20, 16 bytes long.
 Data: <&#200;2&#247;j            > C8 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B6AF72C30, 16 bytes long.
 Data: <&#160;2&#247;j            > A0 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B6AF725F0, 16 bytes long.
 Data: <x2&#247;j            > 78 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B6AF72320, 16 bytes long.
 Data: <P2&#247;j            > 50 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B6AF72410, 16 bytes long.
 Data: < &#198;&#246;j            > 20 C6 F6 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B6AF6C620, 40 bytes long.
 Data: < $&#247;j     &#189;&#183;l    > 10 24 F7 6A 0B 02 00 00 00 BD B7 6C 0B 02 00 00 
{256} normal block at 0x0000020B6AF72820, 16 bytes long.
 Data: <02&#247;j            > 30 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020B6AF72280, 16 bytes long.
 Data: < 2&#247;j            > 08 32 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020B6AF6D630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020B6AF727D0, 16 bytes long.
 Data: <&#224;1&#247;j            > E0 31 F7 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020B6AF731E0, 992 bytes long.
 Data: <&#208;'&#247;j    0&#214;&#246;j    > D0 27 F7 6A 0B 02 00 00 30 D6 F6 6A 0B 02 00 00 
{88} normal block at 0x0000020B6AF6D870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020B6AF67FC0, 16 bytes long.
 Data: < &#192;&#246;j            > 00 C0 F6 6A 0B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020B6AF6C000, 40 bytes long.
 Data: <&#192; &#246;j    p&#216;&#246;j    > C0 7F F6 6A 0B 02 00 00 70 D8 F6 6A 0B 02 00 00 
{65} normal block at 0x0000020B6AF67750, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B6AF67340, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B6AF677A0, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B6AF67F20, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B6AF672A0, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B6AF67250, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020B6AF67C50, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020B6AF67390, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020B6AF67200, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020B6AF67700, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra