Task 38646417

Name test_493-GPUGRID_TEST_ATM_500_20261023-0-1-RND6149_1
Workunit 31590830
Created 23 Oct 2026, 16:35:37 UTC
Sent 23 Oct 2026, 17:24:20 UTC
Report deadline 28 Oct 2026, 17:24:20 UTC
Received 23 Oct 2026, 17:45:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 20 min 21 sec
CPU time 18 min 6 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.36 MB
Peak swap size 9.93 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:25:30 (21096): wrapper (7.9.26016): starting
14:25:30 (21096): 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
14:25:31 (21096): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:25:31 (21096): 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
14:45:12 (21096): C:/Windows/system32/cmd.exe exited; CPU time 1086.843750
14:45:12 (21096): 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: 22015321 bytes.
Dumping objects ->
{3835223} normal block at 0x0000020D76E80DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000020D76E81250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000020D76E81090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000020D76E807D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000020D76E80D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000020D76F2BC00, 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) : {3835135} normal block at 0x0000020D750CBB50, 8 bytes long.
 Data: <  yu    > 00 00 79 75 0D 02 00 00 
{3833977} normal block at 0x0000020D750CC3C0, 8 bytes long.
 Data: <  &#253;v    > 20 1A FD 76 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000020D750CD630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020D750C0C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000020D750D3C50, 16 bytes long.
 Data: <&#232;R u            > E8 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020D750D49C0, 16 bytes long.
 Data: <&#192;R u            > C0 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000020D750CE3D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000020D750D44C0, 16 bytes long.
 Data: < R u            > 98 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020D750D48D0, 16 bytes long.
 Data: <pR u            > 70 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020D750D4290, 16 bytes long.
 Data: <HR u            > 48 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020D750D3FC0, 16 bytes long.
 Data: < R u            > 20 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020D750CF1E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000020D750D4330, 16 bytes long.
 Data: <&#184;&#252; u            > B8 FC 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D750CE190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000020D750D4830, 16 bytes long.
 Data: < &#252; u            > 90 FC 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020D750D4970, 16 bytes long.
 Data: <h&#252; u            > 68 FC 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D750D3C00, 16 bytes long.
 Data: <@&#252; u            > 40 FC 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020D750D46F0, 16 bytes long.
 Data: < &#252; u            > 18 FC 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020D750D3E80, 16 bytes long.
 Data: <&#240;&#251; u            > F0 FB 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D750D3E30, 16 bytes long.
 Data: <&#200;&#251; u            > C8 FB 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D750CE010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000020D750D4420, 16 bytes long.
 Data: <&#160;&#251; u            > A0 FB 0B 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D750BFBA0, 320 bytes long.
 Data: < D u     &#224; u    > 20 44 0D 75 0D 02 00 00 10 E0 0C 75 0D 02 00 00 
{284} normal block at 0x0000020D750D42E0, 16 bytes long.
 Data: < R u            > 00 52 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D750D46A0, 16 bytes long.
 Data: <&#216;Q u            > D8 51 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020D750CE5B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000020D750D3F20, 16 bytes long.
 Data: <&#176;Q u            > B0 51 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020D750CE130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000020D750D3F70, 16 bytes long.
 Data: <&#248;P u            > F8 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D750D40B0, 16 bytes long.
 Data: <&#208;P u            > D0 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020D750D41A0, 16 bytes long.
 Data: <&#168;P u            > A8 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D750D3CF0, 16 bytes long.
 Data: < P u            > 80 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020D750D4150, 16 bytes long.
 Data: <XP u            > 58 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D750D4600, 16 bytes long.
 Data: <0P u            > 30 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D750D4560, 16 bytes long.
 Data: < &#244; u            > 10 F4 0C 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D750CF410, 40 bytes long.
 Data: <`E u     &#188;&#242;v    > 60 45 0D 75 0D 02 00 00 00 BC F2 76 0D 02 00 00 
{270} normal block at 0x0000020D750D4650, 16 bytes long.
 Data: < P u            > 10 50 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020D750D4010, 16 bytes long.
 Data: <&#232;O u            > E8 4F 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D750CEF10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000020D750D4B50, 16 bytes long.
 Data: <&#192;O u            > C0 4F 0D 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020D750D4FC0, 992 bytes long.
 Data: <PK u     &#239; u    > 50 4B 0D 75 0D 02 00 00 10 EF 0C 75 0D 02 00 00 
{102} normal block at 0x0000020D750CE2B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000020D750CBB00, 16 bytes long.
 Data: < &#240; u            > 20 F0 0C 75 0D 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000020D750CF020, 40 bytes long.
 Data: < &#187; u    &#176;&#226; u    > 00 BB 0C 75 0D 02 00 00 B0 E2 0C 75 0D 02 00 00 
{79} normal block at 0x0000020D750CBDD0, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020D750CC500, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020D750CC5A0, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020D750CC870, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000020D750CC140, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020D750CBD30, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020D750CBBA0, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020D750CC320, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020D750CC2D0, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020D750CC4B0, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra