Task 38678771

Name test_762-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7027_0
Workunit 31620577
Created 26 Oct 2026, 18:27:02 UTC
Sent 26 Oct 2026, 18:27:04 UTC
Report deadline 31 Oct 2026, 18:27:04 UTC
Received 26 Oct 2026, 19:11:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 22 min 2 sec
CPU time 21 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.86 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:50:11 (70464): wrapper (7.9.26016): starting
14:50:11 (70464): 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
14:50:12 (70464): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:50:12 (70464): 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 'G:\BoincData\slots\4\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 'G:\BoincData\slots\4\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
15:11:20 (70464): C:/Windows/system32/cmd.exe exited; CPU time 1269.093750
15:11:20 (70464): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27991325 bytes.
Dumping objects ->
{3835574} normal block at 0x000001E8770A0BC0, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x000001E8771EDB40, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x000001E8771ED420, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x000001E8771ED360, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x000001E8771ECAC0, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x000001E8770A0E60, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000001E87555FFA0, 8 bytes long.
 Data: <  Pu&#232;   > 00 00 50 75 E8 01 00 00 
{3833957} normal block at 0x000001E87555F500, 8 bytes long.
 Data: < &#221;cu&#232;   > 90 DD 63 75 E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E8755642F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E87555C880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E87556F420, 16 bytes long.
 Data: <&#168;&#171;Vu&#232;           > A8 AB 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E87556F150, 16 bytes long.
 Data: < &#171;Vu&#232;           > 80 AB 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E87556CD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E87556F6F0, 16 bytes long.
 Data: <X&#171;Vu&#232;           > 58 AB 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E87556FF60, 16 bytes long.
 Data: <0&#171;Vu&#232;           > 30 AB 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E87556FEC0, 16 bytes long.
 Data: < &#171;Vu&#232;           > 08 AB 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E87556FB50, 16 bytes long.
 Data: <&#224;&#170;Vu&#232;           > E0 AA 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E87556B710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E87556F880, 16 bytes long.
 Data: <XpUu&#232;           > 58 70 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E87556CB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E87556F650, 16 bytes long.
 Data: <0pUu&#232;           > 30 70 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E87556F7E0, 16 bytes long.
 Data: < pUu&#232;           > 08 70 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E87556FE70, 16 bytes long.
 Data: <&#224;oUu&#232;           > E0 6F 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E87556FDD0, 16 bytes long.
 Data: <&#184;oUu&#232;           > B8 6F 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E87556F5B0, 16 bytes long.
 Data: < oUu&#232;           > 90 6F 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E875570000, 16 bytes long.
 Data: <hoUu&#232;           > 68 6F 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E87556C800, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E87556F3D0, 16 bytes long.
 Data: <@oUu&#232;           > 40 6F 55 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E875556F40, 320 bytes long.
 Data: <&#208;&#243;Vu&#232;    &#200;Vu&#232;   > D0 F3 56 75 E8 01 00 00 00 C8 56 75 E8 01 00 00 
{274} normal block at 0x000001E87556FBF0, 16 bytes long.
 Data: <&#192;&#170;Vu&#232;           > C0 AA 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E87556FB00, 16 bytes long.
 Data: < &#170;Vu&#232;           > 98 AA 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E87556C020, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E87556F1F0, 16 bytes long.
 Data: <p&#170;Vu&#232;           > 70 AA 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E87556CB00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E87556F920, 16 bytes long.
 Data: <&#184;&#169;Vu&#232;           > B8 A9 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E87556F380, 16 bytes long.
 Data: < &#169;Vu&#232;           > 90 A9 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E87556F830, 16 bytes long.
 Data: <h&#169;Vu&#232;           > 68 A9 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E87556FAB0, 16 bytes long.
 Data: <@&#169;Vu&#232;           > 40 A9 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E87556FF10, 16 bytes long.
 Data: < &#169;Vu&#232;           > 18 A9 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E87556FC40, 16 bytes long.
 Data: <&#240;&#168;Vu&#232;           > F0 A8 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E87556FA60, 16 bytes long.
 Data: <&#160;&#182;Vu&#232;           > A0 B6 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E87556B6A0, 40 bytes long.
 Data: <`&#250;Vu&#232;   `  w&#232;   > 60 FA 56 75 E8 01 00 00 60 0E 0A 77 E8 01 00 00 
{260} normal block at 0x000001E87556FE20, 16 bytes long.
 Data: <&#208;&#168;Vu&#232;           > D0 A8 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E87556F510, 16 bytes long.
 Data: <&#168;&#168;Vu&#232;           > A8 A8 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E87556CAA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E87556FA10, 16 bytes long.
 Data: < &#168;Vu&#232;           > 80 A8 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E87556A880, 992 bytes long.
 Data: < &#250;Vu&#232;   &#160;&#202;Vu&#232;   > 10 FA 56 75 E8 01 00 00 A0 CA 56 75 E8 01 00 00 
{92} normal block at 0x000001E87556C200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E87555FF00, 16 bytes long.
 Data: <&#192;&#181;Vu&#232;           > C0 B5 56 75 E8 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E87556B5C0, 40 bytes long.
 Data: < &#255;Uu&#232;    &#194;Vu&#232;   > 00 FF 55 75 E8 01 00 00 00 C2 56 75 E8 01 00 00 
{69} normal block at 0x000001E87555F780, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E87555FE60, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E87555F730, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E87555FD20, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E87555FAF0, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E87555F190, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E87555F1E0, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E87555FCD0, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E87555F960, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E87555F370, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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