Task 38663057

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8481_0
Workunit 31606289
Created 24 Oct 2026, 21:13:41 UTC
Sent 24 Oct 2026, 21:13:47 UTC
Report deadline 29 Oct 2026, 21:13:47 UTC
Received 25 Oct 2026, 3:26:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654840
Run time 1 hours 39 min 31 sec
CPU time 1 hours 29 min 23 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 738.35 MB
Peak swap size 8.39 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:49:34 (38196): wrapper (7.9.26016): starting
20:49:34 (38196): 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
20:49:35 (38196): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:49:35 (38196): 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
22:25:38 (38196): C:/Windows/system32/cmd.exe exited; CPU time 5363.843750
22:25:38 (38196): 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: 168617947 bytes.
Dumping objects ->
{3835485} normal block at 0x0000020C6CE83E60, 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 0x0000020C6CE83CA0, 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 0x0000020C6CE84250, 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 0x0000020C6CE84020, 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 0x0000020C6CE83DF0, 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 0x0000020C6F13D5E0, 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 0x0000020C6CE79580, 8 bytes long.
 Data: <  	m    > 00 00 09 6D 0C 02 00 00 
{3833949} normal block at 0x0000020C6CE78F40, 8 bytes long.
 Data: <P&#201;&#234;l    > 50 C9 EA 6C 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020C6CE75040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C6CE7EDF0, 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 0x0000020C6CE84D50, 16 bytes long.
 Data: <(W&#232;l            > 28 57 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C6CE84C10, 16 bytes long.
 Data: < W&#232;l            > 00 57 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C6CE802E0, 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 0x0000020C6CE85250, 16 bytes long.
 Data: <&#216;V&#232;l            > D8 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C6CE85020, 16 bytes long.
 Data: <&#176;V&#232;l            > B0 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C6CE84710, 16 bytes long.
 Data: < V&#232;l            > 88 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C6CE84490, 16 bytes long.
 Data: <`V&#232;l            > 60 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C6CE841E0, 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 0x0000020C6CE84FD0, 16 bytes long.
 Data: <x&#244;&#230;l            > 78 F4 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C6CE7F800, 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 0x0000020C6CE84620, 16 bytes long.
 Data: <P&#244;&#230;l            > 50 F4 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C6CE84B70, 16 bytes long.
 Data: <(&#244;&#230;l            > 28 F4 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C6CE84530, 16 bytes long.
 Data: < &#244;&#230;l            > 00 F4 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C6CE84F80, 16 bytes long.
 Data: <&#216;&#243;&#230;l            > D8 F3 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C6CE84D00, 16 bytes long.
 Data: <&#176;&#243;&#230;l            > B0 F3 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C6CE85110, 16 bytes long.
 Data: < &#243;&#230;l            > 88 F3 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C6CE804C0, 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 0x0000020C6CE84E90, 16 bytes long.
 Data: <`&#243;&#230;l            > 60 F3 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C6CE6F360, 320 bytes long.
 Data: < N&#232;l    &#192; &#232;l    > 90 4E E8 6C 0C 02 00 00 C0 04 E8 6C 0C 02 00 00 
{270} normal block at 0x0000020C6CE850C0, 16 bytes long.
 Data: <@V&#232;l            > 40 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C6CE85340, 16 bytes long.
 Data: < V&#232;l            > 18 56 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C6CE80040, 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 0x0000020C6CE84B20, 16 bytes long.
 Data: <&#240;U&#232;l            > F0 55 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C6CE7FC80, 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 0x0000020C6CE84670, 16 bytes long.
 Data: <8U&#232;l            > 38 55 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C6CE852F0, 16 bytes long.
 Data: < U&#232;l            > 10 55 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C6CE845D0, 16 bytes long.
 Data: <&#232;T&#232;l            > E8 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C6CE85160, 16 bytes long.
 Data: <&#192;T&#232;l            > C0 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C6CE84CB0, 16 bytes long.
 Data: < T&#232;l            > 98 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C6CE84C60, 16 bytes long.
 Data: <pT&#232;l            > 70 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C6CE84DF0, 16 bytes long.
 Data: <pA&#232;l            > 70 41 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C6CE84170, 40 bytes long.
 Data: <&#240;M&#232;l    &#224;&#213; o    > F0 4D E8 6C 0C 02 00 00 E0 D5 13 6F 0C 02 00 00 
{256} normal block at 0x0000020C6CE852A0, 16 bytes long.
 Data: <PT&#232;l            > 50 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020C6CE84A80, 16 bytes long.
 Data: <(T&#232;l            > 28 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020C6CE7FF20, 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 0x0000020C6CE846C0, 16 bytes long.
 Data: < T&#232;l            > 00 54 E8 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020C6CE85400, 992 bytes long.
 Data: <&#192;F&#232;l     &#255;&#231;l    > C0 46 E8 6C 0C 02 00 00 20 FF E7 6C 0C 02 00 00 
{88} normal block at 0x0000020C6CE7FC20, 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 0x0000020C6CE79850, 16 bytes long.
 Data: < &#216;&#230;l            > 80 D8 E6 6C 0C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020C6CE6D880, 40 bytes long.
 Data: <P &#231;l     &#252;&#231;l    > 50 98 E7 6C 0C 02 00 00 20 FC E7 6C 0C 02 00 00 
{65} normal block at 0x0000020C6CE797B0, 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 0x0000020C6CE796C0, 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 0x0000020C6CE79670, 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 0x0000020C6CE79B70, 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 0x0000020C6CE79D50, 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 0x0000020C6CE79AD0, 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 0x0000020C6CE78FE0, 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 0x0000020C6CE78EF0, 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 0x0000020C6CE79A80, 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 0x0000020C6CE799E0, 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