Task 38663058

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND7783_0
Workunit 31606290
Created 24 Oct 2026, 21:13:42 UTC
Sent 24 Oct 2026, 21:13:47 UTC
Report deadline 29 Oct 2026, 21:13:47 UTC
Received 25 Oct 2026, 1:46:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654840
Run time 1 hours 39 min 3 sec
CPU time 1 hours 29 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,029.85 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.11 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:13 (59752): wrapper (7.9.26016): starting
19:10:13 (59752): 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
19:10:14 (59752): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:10:14 (59752): 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
20:45:47 (59752): C:/Windows/system32/cmd.exe exited; CPU time 5353.703125
20:45:47 (59752): 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: 167445567 bytes.
Dumping objects ->
{3835485} normal block at 0x0000013603094170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x0000013603094100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x0000013603094090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835452} normal block at 0x0000013603093ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x0000013603093E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835410} normal block at 0x000001360548D460, 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) : {3835397} normal block at 0x00000136030896C0, 8 bytes long.
 Data: <  G 6   > 00 00 47 03 36 01 00 00 
{3833949} normal block at 0x0000013603089490, 8 bytes long.
 Data: <P&#201;  6   > 50 C9 0B 03 36 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000136030852C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001360308F300, 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 0x0000013603095340, 16 bytes long.
 Data: <(W	 6           > 28 57 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013603095020, 16 bytes long.
 Data: < W	 6           > 00 57 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001360308FF80, 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 0x0000013603094490, 16 bytes long.
 Data: <&#216;V	 6           > D8 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013603094760, 16 bytes long.
 Data: <&#176;V	 6           > B0 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013603094F30, 16 bytes long.
 Data: < V	 6           > 88 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013603094EE0, 16 bytes long.
 Data: <`V	 6           > 60 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013603093F40, 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 0x0000013603094850, 16 bytes long.
 Data: <x&#244;  6           > 78 F4 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013603090100, 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 0x00000136030948F0, 16 bytes long.
 Data: <P&#244;  6           > 50 F4 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013603094E90, 16 bytes long.
 Data: <(&#244;  6           > 28 F4 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000136030949E0, 16 bytes long.
 Data: < &#244;  6           > 00 F4 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013603094E40, 16 bytes long.
 Data: <&#216;&#243;  6           > D8 F3 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013603094710, 16 bytes long.
 Data: <&#176;&#243;  6           > B0 F3 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013603094440, 16 bytes long.
 Data: < &#243;  6           > 88 F3 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001360308F860, 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 0x0000013603094A80, 16 bytes long.
 Data: <`&#243;  6           > 60 F3 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001360307F360, 320 bytes long.
 Data: < J	 6   `&#248;  6   > 80 4A 09 03 36 01 00 00 60 F8 08 03 36 01 00 00 
{270} normal block at 0x0000013603094940, 16 bytes long.
 Data: <@V	 6           > 40 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013603094D50, 16 bytes long.
 Data: < V	 6           > 18 56 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001360308FDA0, 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 0x0000013603094580, 16 bytes long.
 Data: <&#240;U	 6           > F0 55 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001360308F9E0, 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 0x0000013603094DA0, 16 bytes long.
 Data: <8U	 6           > 38 55 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013603094990, 16 bytes long.
 Data: < U	 6           > 10 55 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013603095250, 16 bytes long.
 Data: <&#232;T	 6           > E8 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000136030944E0, 16 bytes long.
 Data: <&#192;T	 6           > C0 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013603094D00, 16 bytes long.
 Data: < T	 6           > 98 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000136030947B0, 16 bytes long.
 Data: <pT	 6           > 70 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000136030948A0, 16 bytes long.
 Data: <&#160;<	 6           > A0 3C 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013603093CA0, 40 bytes long.
 Data: <&#160;H	 6   `&#212;H 6   > A0 48 09 03 36 01 00 00 60 D4 48 05 36 01 00 00 
{256} normal block at 0x0000013603094CB0, 16 bytes long.
 Data: <PT	 6           > 50 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000013603094FD0, 16 bytes long.
 Data: <(T	 6           > 28 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000136030902E0, 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 0x0000013603094AD0, 16 bytes long.
 Data: < T	 6           > 00 54 09 03 36 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000013603095400, 992 bytes long.
 Data: <&#208;J	 6   &#224; 	 6   > D0 4A 09 03 36 01 00 00 E0 02 09 03 36 01 00 00 
{88} normal block at 0x000001360308FBC0, 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 0x0000013603089C60, 16 bytes long.
 Data: < &#216;  6           > 80 D8 07 03 36 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001360307D880, 40 bytes long.
 Data: <`&#156;  6   &#192;&#251;  6   > 60 9C 08 03 36 01 00 00 C0 FB 08 03 36 01 00 00 
{65} normal block at 0x0000013603089530, 16 bytes long.
 Data: < &#234;&#226;&#214;&#246;           > 80 EA E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013603089BC0, 16 bytes long.
 Data: <@&#233;&#226;&#214;&#246;           > 40 E9 E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000136030898F0, 16 bytes long.
 Data: <&#248;W&#223;&#214;&#246;           > F8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013603089120, 16 bytes long.
 Data: <&#216;W&#223;&#214;&#246;           > D8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013603089B70, 16 bytes long.
 Data: <P &#223;&#214;&#246;           > 50 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013603089CB0, 16 bytes long.
 Data: <0 &#223;&#214;&#246;           > 30 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000013603089670, 16 bytes long.
 Data: <&#224; &#223;&#214;&#246;           > E0 02 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000013603089710, 16 bytes long.
 Data: <  &#223;&#214;&#246;           > 10 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000013603088EF0, 16 bytes long.
 Data: <p &#223;&#214;&#246;           > 70 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000136030891C0, 16 bytes long.
 Data: < &#192;&#221;&#214;&#246;           > 18 C0 DD D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra