Task 38647031

Name test_266-GPUGRID_TEST_ATM_1000_20261023-0-1-RND3639_1
Workunit 31591103
Created 23 Oct 2026, 18:06:27 UTC
Sent 23 Oct 2026, 18:24:36 UTC
Report deadline 28 Oct 2026, 18:24:36 UTC
Received 23 Oct 2026, 18:40:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 14 min 46 sec
CPU time 13 min 55 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.52 MB
Peak swap size 8.49 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:25:54 (24844): wrapper (7.9.26016): starting
20:25:54 (24844): 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
20:25:55 (24844): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:25:55 (24844): 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
20:39:59 (24844): C:/Windows/system32/cmd.exe exited; CPU time 835.359375
20:39:59 (24844): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 15088217 bytes.
Dumping objects ->
{3835229} normal block at 0x000002634EF14320, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002634EF14400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000002634EF142B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000002634EF146A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000002634EF14240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x0000026350B5B980, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000002634EF38BB0, 102 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) : {3835140} normal block at 0x000002634EF0CA80, 8 bytes long.
 Data: <  FOc   > 00 00 46 4F 63 02 00 00 
{3834544} normal block at 0x000002634EF38790, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002634EF0CF80, 8 bytes long.
 Data: <&#240; &#195;Pc   > F0 1F C3 50 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002634EF0F860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002634EF064B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002634EF138E0, 16 bytes long.
 Data: <X>&#241;Nc           > 58 3E F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002634EF13610, 16 bytes long.
 Data: <0>&#241;Nc           > 30 3E F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002634EF0E930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002634EF13570, 16 bytes long.
 Data: < >&#241;Nc           > 08 3E F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002634EF132A0, 16 bytes long.
 Data: <&#224;=&#241;Nc           > E0 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002634EF12E40, 16 bytes long.
 Data: <&#184;=&#241;Nc           > B8 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002634EF12EE0, 16 bytes long.
 Data: < =&#241;Nc           > 90 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002634EF14630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002634EF13020, 16 bytes long.
 Data: <&#168;&#200;&#240;Nc           > A8 C8 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002634EF0E390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002634EF12B70, 16 bytes long.
 Data: < &#200;&#240;Nc           > 80 C8 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002634EF13520, 16 bytes long.
 Data: <X&#200;&#240;Nc           > 58 C8 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002634EF12DA0, 16 bytes long.
 Data: <0&#200;&#240;Nc           > 30 C8 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002634EF137F0, 16 bytes long.
 Data: < &#200;&#240;Nc           > 08 C8 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002634EF12DF0, 16 bytes long.
 Data: <&#224;&#199;&#240;Nc           > E0 C7 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002634EF12D50, 16 bytes long.
 Data: <&#184;&#199;&#240;Nc           > B8 C7 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002634EF0E8D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002634EF13250, 16 bytes long.
 Data: < &#199;&#240;Nc           > 90 C7 F0 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002634EF0C790, 320 bytes long.
 Data: <P2&#241;Nc   &#208;&#232;&#240;Nc   > 50 32 F1 4E 63 02 00 00 D0 E8 F0 4E 63 02 00 00 
{275} normal block at 0x000002634EF12C60, 16 bytes long.
 Data: <p=&#241;Nc           > 70 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002634EF13890, 16 bytes long.
 Data: <H=&#241;Nc           > 48 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002634EF0E870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002634EF134D0, 16 bytes long.
 Data: < =&#241;Nc           > 20 3D F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002634EF0DFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002634EF12F30, 16 bytes long.
 Data: <h<&#241;Nc           > 68 3C F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002634EF13700, 16 bytes long.
 Data: <@<&#241;Nc           > 40 3C F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002634EF13430, 16 bytes long.
 Data: < <&#241;Nc           > 18 3C F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002634EF13480, 16 bytes long.
 Data: <&#240;;&#241;Nc           > F0 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002634EF130C0, 16 bytes long.
 Data: <&#200;;&#241;Nc           > C8 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002634EF12F80, 16 bytes long.
 Data: <&#160;;&#241;Nc           > A0 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002634EF12BC0, 16 bytes long.
 Data: <&#192;&#223;&#239;Nc           > C0 DF EF 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002634EEFDFC0, 40 bytes long.
 Data: <&#192;+&#241;Nc    &#185;&#181;Pc   > C0 2B F1 4E 63 02 00 00 80 B9 B5 50 63 02 00 00 
{261} normal block at 0x000002634EF13160, 16 bytes long.
 Data: < ;&#241;Nc           > 80 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002634EF13980, 16 bytes long.
 Data: <X;&#241;Nc           > 58 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002634EF0E3F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002634EF12C10, 16 bytes long.
 Data: <0;&#241;Nc           > 30 3B F1 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002634EF13B30, 992 bytes long.
 Data: < ,&#241;Nc   &#240;&#227;&#240;Nc   > 10 2C F1 4E 63 02 00 00 F0 E3 F0 4E 63 02 00 00 
{93} normal block at 0x000002634EF0E690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002634EF0D980, 16 bytes long.
 Data: <&#208;&#198;&#239;Nc           > D0 C6 EF 4E 63 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002634EEFC6D0, 40 bytes long.
 Data: < &#217;&#240;Nc    &#230;&#240;Nc   > 80 D9 F0 4E 63 02 00 00 90 E6 F0 4E 63 02 00 00 
{70} normal block at 0x000002634EF0D160, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002634EF0D480, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002634EF0CB20, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002634EF0D930, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002634EF0D070, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002634EF0D1B0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002634EF0CCB0, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002634EF0D9D0, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002634EF0D750, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002634EF0CDF0, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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