Task 38666145

Name test_985-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6964_0
Workunit 31609164
Created 25 Oct 2026, 2:07:42 UTC
Sent 25 Oct 2026, 4:19:40 UTC
Report deadline 30 Oct 2026, 4:19:40 UTC
Received 25 Oct 2026, 8:19:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 3 hours 56 min 25 sec
CPU time 3 hours 56 min 25 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.55 MB
Peak swap size 8.40 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:22:26 (23948): wrapper (7.9.26016): starting
05:22:26 (23948): 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
05:22:27 (23948): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:22:27 (23948): 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
09:19:06 (23948): C:/Windows/system32/cmd.exe exited; CPU time 14185.718750
09:19:06 (23948): 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: 271186475 bytes.
Dumping objects ->
{3835266} normal block at 0x0000028D50686270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000028D506863C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000028D506865F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x0000028D50686660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000028D50686510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x0000028D5249A6B0, 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) : {3835178} normal block at 0x0000028D5067FC00, 8 bytes long.
 Data: <  &#192;P    > 00 00 C0 50 8D 02 00 00 
{3833963} normal block at 0x0000028D5067F6B0, 8 bytes long.
 Data: <&#192;&#217;fP    > C0 D9 66 50 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000028D50675880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028D50676830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000028D50684EE0, 16 bytes long.
 Data: < ^hP            > 18 5E 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028D506848A0, 16 bytes long.
 Data: <&#240;]hP            > F0 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028D50680990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000028D50684710, 16 bytes long.
 Data: <&#200;]hP            > C8 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D50684A80, 16 bytes long.
 Data: <&#160;]hP            > A0 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028D50685250, 16 bytes long.
 Data: <x]hP            > 78 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028D50684850, 16 bytes long.
 Data: <P]hP            > 50 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D50686190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000028D50684D00, 16 bytes long.
 Data: <H&#151;gP            > 48 97 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D506806F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000028D50684B70, 16 bytes long.
 Data: < &#151;gP            > 20 97 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D50684F30, 16 bytes long.
 Data: <&#248;&#150;gP            > F8 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028D50685110, 16 bytes long.
 Data: <&#208;&#150;gP            > D0 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028D506853E0, 16 bytes long.
 Data: <&#168;&#150;gP            > A8 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D50684990, 16 bytes long.
 Data: < &#150;gP            > 80 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028D50684800, 16 bytes long.
 Data: <X&#150;gP            > 58 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D50680270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000028D50684E40, 16 bytes long.
 Data: <0&#150;gP            > 30 96 67 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D50679630, 320 bytes long.
 Data: <@NhP    p hP    > 40 4E 68 50 8D 02 00 00 70 02 68 50 8D 02 00 00 
{277} normal block at 0x0000028D50685020, 16 bytes long.
 Data: <0]hP            > 30 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D506850C0, 16 bytes long.
 Data: < ]hP            > 08 5D 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D50680690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000028D50685200, 16 bytes long.
 Data: <&#224;\hP            > E0 5C 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D50680210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000028D506848F0, 16 bytes long.
 Data: <(\hP            > 28 5C 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028D50684940, 16 bytes long.
 Data: < \hP            > 00 5C 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D50684D50, 16 bytes long.
 Data: <&#216;[hP            > D8 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028D506852F0, 16 bytes long.
 Data: <&#176;[hP            > B0 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D506845D0, 16 bytes long.
 Data: < [hP            > 88 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D50684670, 16 bytes long.
 Data: <`[hP            > 60 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D50684FD0, 16 bytes long.
 Data: <&#176;&#231;fP            > B0 E7 66 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D5066E7B0, 40 bytes long.
 Data: <&#208;OhP    &#176;&#166;IR    > D0 4F 68 50 8D 02 00 00 B0 A6 49 52 8D 02 00 00 
{263} normal block at 0x0000028D50684760, 16 bytes long.
 Data: <@[hP            > 40 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D506851B0, 16 bytes long.
 Data: < [hP            > 18 5B 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028D50680390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000028D506846C0, 16 bytes long.
 Data: <&#240;ZhP            > F0 5A 68 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D50685AF0, 992 bytes long.
 Data: <&#192;FhP      hP    > C0 46 68 50 8D 02 00 00 90 03 68 50 8D 02 00 00 
{95} normal block at 0x0000028D50680570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000028D5067F660, 16 bytes long.
 Data: <&#192;&#200;fP            > C0 C8 66 50 8D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000028D5066C8C0, 40 bytes long.
 Data: <`&#246;gP    p hP    > 60 F6 67 50 8D 02 00 00 70 05 68 50 8D 02 00 00 
{72} normal block at 0x0000028D5067F070, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028D5067F930, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028D5067F4D0, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028D5067F020, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028D5067F1B0, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028D5067F0C0, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D5067F340, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D5067FCF0, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D5067F570, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D5067F520, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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