Task 38670485

Name test_717-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8342_0
Workunit 31612731
Created 25 Oct 2026, 17:41:40 UTC
Sent 25 Oct 2026, 17:41:44 UTC
Report deadline 30 Oct 2026, 17:41:44 UTC
Received 25 Oct 2026, 18:36:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 50 sec
CPU time 30 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.25 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
14:03:27 (32552): wrapper (7.9.26016): starting
14:03:27 (32552): 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
14:03:28 (32552): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:03:28 (32552): 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\3\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\3\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
14:35:40 (32552): C:/Windows/system32/cmd.exe exited; CPU time 1857.062500
14:35:40 (32552): 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: 40913593 bytes.
Dumping objects ->
{3835478} normal block at 0x0000029ADAF4D030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x0000029ADAF4D8F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000029ADAF4CE70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x0000029AD9164C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x0000029AD9164B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x0000029ADAF98750, 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) : {3835390} normal block at 0x0000029AD9160C20, 8 bytes long.
 Data: <  &#205;&#218;&#154;   > 00 00 CD DA 9A 02 00 00 
{3833961} normal block at 0x0000029AD91616C0, 8 bytes long.
 Data: <`R&#255;&#218;&#154;   > 60 52 FF DA 9A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029AD9156600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029AD9157060, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000029AD9166430, 16 bytes long.
 Data: < W &#217;&#154;           > 08 57 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029AD91666B0, 16 bytes long.
 Data: <&#224;V &#217;&#154;           > E0 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029AD91600D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000029AD9165E90, 16 bytes long.
 Data: <&#184;V &#217;&#154;           > B8 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029AD91664D0, 16 bytes long.
 Data: < V &#217;&#154;           > 90 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029AD9165BC0, 16 bytes long.
 Data: <hV &#217;&#154;           > 68 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029AD91663E0, 16 bytes long.
 Data: <@V &#217;&#154;           > 40 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029AD9164890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000029AD91659E0, 16 bytes long.
 Data: < &#185; &#217;&#154;           > 08 B9 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029AD915FC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000029AD9165940, 16 bytes long.
 Data: <&#224;&#184; &#217;&#154;           > E0 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029AD9165F80, 16 bytes long.
 Data: <&#184;&#184; &#217;&#154;           > B8 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029AD9165FD0, 16 bytes long.
 Data: < &#184; &#217;&#154;           > 90 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029AD91658A0, 16 bytes long.
 Data: <h&#184; &#217;&#154;           > 68 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029AD9166390, 16 bytes long.
 Data: <@&#184; &#217;&#154;           > 40 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029AD91660C0, 16 bytes long.
 Data: < &#184; &#217;&#154;           > 18 B8 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029AD9160370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000029AD9166480, 16 bytes long.
 Data: <&#240;&#183; &#217;&#154;           > F0 B7 14 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029AD914B7F0, 320 bytes long.
 Data: < d &#217;&#154;   p  &#217;&#154;   > 80 64 16 D9 9A 02 00 00 70 03 16 D9 9A 02 00 00 
{276} normal block at 0x0000029AD9166250, 16 bytes long.
 Data: < V &#217;&#154;           > 20 56 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029AD9165A30, 16 bytes long.
 Data: <&#248;U &#217;&#154;           > F8 55 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029AD915FA10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000029AD9165E40, 16 bytes long.
 Data: <&#208;U &#217;&#154;           > D0 55 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029AD915FBF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000029AD9165DF0, 16 bytes long.
 Data: < U &#217;&#154;           > 18 55 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029AD91662A0, 16 bytes long.
 Data: <&#240;T &#217;&#154;           > F0 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029AD9166700, 16 bytes long.
 Data: <&#200;T &#217;&#154;           > C8 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029AD9166660, 16 bytes long.
 Data: <&#160;T &#217;&#154;           > A0 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029AD9166570, 16 bytes long.
 Data: <xT &#217;&#154;           > 78 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029AD9160A90, 16 bytes long.
 Data: <PT &#217;&#154;           > 50 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029AD9161710, 16 bytes long.
 Data: <&#240;L &#217;&#154;           > F0 4C 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029AD9164CF0, 40 bytes long.
 Data: <   &#217;&#154;   P&#135;&#249;&#218;&#154;   > 10 17 16 D9 9A 02 00 00 50 87 F9 DA 9A 02 00 00 
{262} normal block at 0x0000029AD9161670, 16 bytes long.
 Data: <0T &#217;&#154;           > 30 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029AD9160950, 16 bytes long.
 Data: < T &#217;&#154;           > 08 54 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029AD915FB90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000029AD9161580, 16 bytes long.
 Data: <&#224;S &#217;&#154;           > E0 53 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029AD91653E0, 992 bytes long.
 Data: <   &#217;&#154;    &#251; &#217;&#154;   > 80 15 16 D9 9A 02 00 00 90 FB 15 D9 9A 02 00 00 
{94} normal block at 0x0000029AD9160790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000029AD91611C0, 16 bytes long.
 Data: < L &#217;&#154;           > 80 4C 16 D9 9A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000029AD9164C80, 40 bytes long.
 Data: <&#192;  &#217;&#154;      &#217;&#154;   > C0 11 16 D9 9A 02 00 00 90 07 16 D9 9A 02 00 00 
{71} normal block at 0x0000029AD91609F0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029AD91610D0, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029AD9160D10, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029AD9161530, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029AD9160F40, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029AD9161490, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029AD9161170, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029AD9161800, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029AD91612B0, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029AD9160EA0, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra