Task 38673124

Name test_764-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4469_0
Workunit 31615226
Created 26 Oct 2026, 1:33:18 UTC
Sent 26 Oct 2026, 1:33:24 UTC
Report deadline 31 Oct 2026, 1:33:24 UTC
Received 26 Oct 2026, 2:53:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 1 hours 6 min 36 sec
CPU time 1 hours 1 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.23 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:45:22 (3680): wrapper (7.9.26016): starting
03:45:22 (3680): 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
03:45:26 (3680): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:45:26 (3680): 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 'E:\Boinc\slots\1\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 'E:\Boinc\slots\1\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
04:52:29 (3680): C:/Windows/system32/cmd.exe exited; CPU time 3674.625000
04:52:29 (3680): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 bytes in 8 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: 50514646 bytes.
Dumping objects ->
{3835460} normal block at 0x0000017F63F95570, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000017F661B5FB0, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000017F661B6130, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000017F661B5F50, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000017F661B63D0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000017F63F957A0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000017F660740D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835371} normal block at 0x0000017F63F67650, 8 bytes long.
 Data: <   d    > 00 00 17 64 7F 01 00 00 
{3834651} normal block at 0x0000017F66074C10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000017F63F67380, 8 bytes long.
 Data: < W f    > 90 57 07 66 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000017F63F708A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017F63F58CD0, 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 0x0000017F63F724C0, 16 bytes long.
 Data: < 1&#247;c            > 08 31 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017F63F71F70, 16 bytes long.
 Data: <&#224;0&#247;c            > E0 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017F63F6C7A0, 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 0x0000017F63F71F20, 16 bytes long.
 Data: <&#184;0&#247;c            > B8 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017F63F71E30, 16 bytes long.
 Data: < 0&#247;c            > 90 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017F63F71C50, 16 bytes long.
 Data: <h0&#247;c            > 68 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017F63F71C00, 16 bytes long.
 Data: <@0&#247;c            > 40 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017F63F6D900, 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 0x0000017F63F71DE0, 16 bytes long.
 Data: <H&#192;&#245;c            > 48 C0 F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017F63F6C080, 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 0x0000017F63F72420, 16 bytes long.
 Data: < &#192;&#245;c            > 20 C0 F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017F63F72330, 16 bytes long.
 Data: <&#248;&#191;&#245;c            > F8 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017F63F71BB0, 16 bytes long.
 Data: <&#208;&#191;&#245;c            > D0 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017F63F72380, 16 bytes long.
 Data: <&#168;&#191;&#245;c            > A8 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017F63F72470, 16 bytes long.
 Data: < &#191;&#245;c            > 80 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017F63F72290, 16 bytes long.
 Data: <X&#191;&#245;c            > 58 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017F63F6C560, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000017F63F721F0, 16 bytes long.
 Data: <0&#191;&#245;c            > 30 BF F5 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017F63F5BF30, 320 bytes long.
 Data: <&#240;!&#247;c    `&#197;&#246;c    > F0 21 F7 63 7F 01 00 00 60 C5 F6 63 7F 01 00 00 
{270} normal block at 0x0000017F63F71B10, 16 bytes long.
 Data: < 0&#247;c            > 20 30 F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017F63F71AC0, 16 bytes long.
 Data: <&#248;/&#247;c            > F8 2F F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017F63F6BFC0, 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 0x0000017F63F71D90, 16 bytes long.
 Data: <&#208;/&#247;c            > D0 2F F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017F63F6B960, 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 0x0000017F63F71D40, 16 bytes long.
 Data: < /&#247;c            > 18 2F F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017F63F721A0, 16 bytes long.
 Data: <&#240;.&#247;c            > F0 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017F63F72150, 16 bytes long.
 Data: <&#200;.&#247;c            > C8 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017F63F71CA0, 16 bytes long.
 Data: <&#160;.&#247;c            > A0 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017F63F72560, 16 bytes long.
 Data: <x.&#247;c            > 78 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017F63F71ED0, 16 bytes long.
 Data: <P.&#247;c            > 50 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017F63F72880, 16 bytes long.
 Data: <0&#219;&#246;c            > 30 DB F6 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017F63F6DB30, 40 bytes long.
 Data: < (&#247;c    &#160;W&#249;c    > 80 28 F7 63 7F 01 00 00 A0 57 F9 63 7F 01 00 00 
{256} normal block at 0x0000017F63F71CF0, 16 bytes long.
 Data: <0.&#247;c            > 30 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017F63F72060, 16 bytes long.
 Data: < .&#247;c            > 08 2E F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017F63F6B900, 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 0x0000017F63F71E80, 16 bytes long.
 Data: <&#224;-&#247;c            > E0 2D F7 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017F63F72DE0, 992 bytes long.
 Data: <  &#247;c     &#185;&#246;c    > 80 1E F7 63 7F 01 00 00 00 B9 F6 63 7F 01 00 00 
{88} normal block at 0x0000017F63F6C740, 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 0x0000017F63F66C50, 16 bytes long.
 Data: <p&#217;&#246;c            > 70 D9 F6 63 7F 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000017F63F6D970, 40 bytes long.
 Data: <Pl&#246;c    @&#199;&#246;c    > 50 6C F6 63 7F 01 00 00 40 C7 F6 63 7F 01 00 00 
{65} normal block at 0x0000017F63F67290, 16 bytes long.
 Data: < &#234;=|&#247;           > 80 EA 3D 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017F63F676F0, 16 bytes long.
 Data: <@&#233;=|&#247;           > 40 E9 3D 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017F63F66FC0, 16 bytes long.
 Data: <&#248;W:|&#247;           > F8 57 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017F63F67970, 16 bytes long.
 Data: <&#216;W:|&#247;           > D8 57 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017F63F679C0, 16 bytes long.
 Data: <P :|&#247;           > 50 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017F63F67240, 16 bytes long.
 Data: <0 :|&#247;           > 30 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017F63F66DE0, 16 bytes long.
 Data: <&#224; :|&#247;           > E0 02 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017F63F67A60, 16 bytes long.
 Data: <  :|&#247;           > 10 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017F63F66D90, 16 bytes long.
 Data: <p :|&#247;           > 70 04 3A 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017F63F671F0, 16 bytes long.
 Data: < &#192;8|&#247;           > 18 C0 38 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra