Task 38700121

Name test_976-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2341_1
Workunit 31638629
Created 7 Nov 2026, 3:31:47 UTC
Sent 7 Nov 2026, 3:31:49 UTC
Report deadline 12 Nov 2026, 3:31:49 UTC
Received 7 Nov 2026, 4:03:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 29 min 59 sec
CPU time 27 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.83 MB
Peak swap size 13.15 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:34:11 (14744): wrapper (7.9.26016): starting
19:34:11 (14744): 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
19:34:14 (14744): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:34:14 (14744): 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
20:03:11 (14744): C:/Windows/system32/cmd.exe exited; CPU time 1643.390625
20:03:11 (14744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 24670005 bytes.
Dumping objects ->
{3835573} normal block at 0x0000024AB46732A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835562} normal block at 0x0000024AB4672F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x0000024AB4673000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835540} normal block at 0x0000024AB46725F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000024AB46727B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835498} normal block at 0x0000024AB45CAEA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x0000024AB4674120, 155 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) : {3835484} normal block at 0x0000024AB278D000, 8 bytes long.
 Data: <  3&#180;J   > 00 00 33 B4 4A 02 00 00 
{3834703} normal block at 0x0000024AB4673E80, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000024AB278CE70, 8 bytes long.
 Data: < +y&#178;J   > 80 2B 79 B2 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024AB278EE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024AB2785EB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000024AB2793CF0, 16 bytes long.
 Data: <(Jy&#178;J           > 28 4A 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024AB2794240, 16 bytes long.
 Data: < Jy&#178;J           > 00 4A 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024AB278E320, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000024AB2793ED0, 16 bytes long.
 Data: <&#216;Iy&#178;J           > D8 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024AB2793B60, 16 bytes long.
 Data: <&#176;Iy&#178;J           > B0 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024AB27935C0, 16 bytes long.
 Data: < Iy&#178;J           > 88 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024AB2793D40, 16 bytes long.
 Data: <`Iy&#178;J           > 60 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024AB2791BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000024AB27939D0, 16 bytes long.
 Data: <H&#147;x&#178;J           > 48 93 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024AB278E980, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000024AB27941A0, 16 bytes long.
 Data: < &#147;x&#178;J           > 20 93 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024AB2794150, 16 bytes long.
 Data: <&#248;&#146;x&#178;J           > F8 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AB2793B10, 16 bytes long.
 Data: <&#208;&#146;x&#178;J           > D0 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024AB2793C00, 16 bytes long.
 Data: <&#168;&#146;x&#178;J           > A8 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024AB2794060, 16 bytes long.
 Data: < &#146;x&#178;J           > 80 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024AB2793930, 16 bytes long.
 Data: <X&#146;x&#178;J           > 58 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024AB278E860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000024AB2794010, 16 bytes long.
 Data: <0&#146;x&#178;J           > 30 92 78 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024AB2789230, 320 bytes long.
 Data: < @y&#178;J   `&#232;x&#178;J   > 10 40 79 B2 4A 02 00 00 60 E8 78 B2 4A 02 00 00 
{278} normal block at 0x0000024AB2793F70, 16 bytes long.
 Data: <@Iy&#178;J           > 40 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024AB2794100, 16 bytes long.
 Data: < Iy&#178;J           > 18 49 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024AB278E3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000024AB2793BB0, 16 bytes long.
 Data: <&#240;Hy&#178;J           > F0 48 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024AB278E8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000024AB27933E0, 16 bytes long.
 Data: <8Hy&#178;J           > 38 48 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024AB27940B0, 16 bytes long.
 Data: < Hy&#178;J           > 10 48 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024AB2793430, 16 bytes long.
 Data: <&#232;Gy&#178;J           > E8 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AB2793C50, 16 bytes long.
 Data: <&#192;Gy&#178;J           > C0 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024AB2793520, 16 bytes long.
 Data: < Gy&#178;J           > 98 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024AB2793CA0, 16 bytes long.
 Data: <pGy&#178;J           > 70 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024AB2793980, 16 bytes long.
 Data: <&#176; y&#178;J           > B0 1C 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024AB2791CB0, 40 bytes long.
 Data: < 9y&#178;J   &#160;&#174;\&#180;J   > 80 39 79 B2 4A 02 00 00 A0 AE 5C B4 4A 02 00 00 
{264} normal block at 0x0000024AB2793E80, 16 bytes long.
 Data: <PGy&#178;J           > 50 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024AB2793FC0, 16 bytes long.
 Data: <(Gy&#178;J           > 28 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024AB278DFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000024AB2793840, 16 bytes long.
 Data: < Gy&#178;J           > 00 47 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024AB2794700, 992 bytes long.
 Data: <@8y&#178;J   &#192;&#223;x&#178;J   > 40 38 79 B2 4A 02 00 00 C0 DF 78 B2 4A 02 00 00 
{96} normal block at 0x0000024AB278DF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000024AB278CFB0, 16 bytes long.
 Data: <` y&#178;J           > 60 1B 79 B2 4A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000024AB2791B60, 40 bytes long.
 Data: <&#176;&#207;x&#178;J   `&#223;x&#178;J   > B0 CF 78 B2 4A 02 00 00 60 DF 78 B2 4A 02 00 00 
{73} normal block at 0x0000024AB278D8C0, 16 bytes long.
 Data: < &#234; o&#246;           > 80 EA 00 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024AB278D140, 16 bytes long.
 Data: <@&#233; o&#246;           > 40 E9 00 6F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024AB278D460, 16 bytes long.
 Data: <&#248;W&#253;n&#246;           > F8 57 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024AB278D2D0, 16 bytes long.
 Data: <&#216;W&#253;n&#246;           > D8 57 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024AB278CF60, 16 bytes long.
 Data: <P &#253;n&#246;           > 50 04 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024AB278DA00, 16 bytes long.
 Data: <0 &#253;n&#246;           > 30 04 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024AB278D690, 16 bytes long.
 Data: <&#224; &#253;n&#246;           > E0 02 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024AB278D7D0, 16 bytes long.
 Data: <  &#253;n&#246;           > 10 04 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AB278D640, 16 bytes long.
 Data: <p &#253;n&#246;           > 70 04 FD 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024AB278CE20, 16 bytes long.
 Data: < &#192;&#251;n&#246;           > 18 C0 FB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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