Task 38684830
| Name | test_461-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1783_0 |
| Workunit | 31626331 |
| Created | 27 Oct 2026, 18:12:00 UTC |
| Sent | 27 Oct 2026, 18:12:05 UTC |
| Report deadline | 1 Nov 2026, 18:12:05 UTC |
| Received | 27 Oct 2026, 20:11:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610900 |
| Run time | 58 min 21 sec |
| CPU time | 51 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 739.29 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
15:13:06 (53640): wrapper (7.9.26016): starting
15:13:06 (53640): 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
15:13:08 (53640): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:13:08 (53640): 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
16:11:02 (53640): C:/Windows/system32/cmd.exe exited; CPU time 3115.312500
16:11:02 (53640): 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: 83016989 bytes.
Dumping objects ->
{3835500} normal block at 0x0000011F78915E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x0000011F78915D80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x0000011F78915C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835467} normal block at 0x0000011F78915BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000011F78915B50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835425} normal block at 0x0000011F7A708510, 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) : {3835412} normal block at 0x0000011F7890F930, 8 bytes long.
Data: < ‰x > 00 00 89 78 1F 01 00 00
{3833959} normal block at 0x0000011F78910420, 8 bytes long.
Data: < Ú“x > 80 DA 93 78 1F 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000011F78911D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000011F789073C0, 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 0x0000011F78917330, 16 bytes long.
Data: < w‘x > 18 77 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000011F78916CA0, 16 bytes long.
Data: <ðv‘x > F0 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000011F789110E0, 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 0x0000011F789171A0, 16 bytes long.
Data: <Èv‘x > C8 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000011F78916CF0, 16 bytes long.
Data: < v‘x > A0 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000011F789172E0, 16 bytes long.
Data: <xv‘x > 78 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000011F789166B0, 16 bytes long.
Data: <Pv‘x > 50 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000011F78916090, 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 0x0000011F78917150, 16 bytes long.
Data: <¸› x > B8 9B 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000011F78910C00, 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 0x0000011F78916A20, 16 bytes long.
Data: < › x > 90 9B 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000011F78917100, 16 bytes long.
Data: <h› x > 68 9B 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000011F78917060, 16 bytes long.
Data: <@› x > 40 9B 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000011F78916FC0, 16 bytes long.
Data: < › x > 18 9B 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000011F78916F70, 16 bytes long.
Data: <ðš x > F0 9A 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000011F789167F0, 16 bytes long.
Data: <Èš x > C8 9A 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000011F78910720, 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 0x0000011F78916A70, 16 bytes long.
Data: < š x > A0 9A 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000011F78909AA0, 320 bytes long.
Data: <pj‘x ‘x > 70 6A 91 78 1F 01 00 00 20 07 91 78 1F 01 00 00
{275} normal block at 0x0000011F78916C50, 16 bytes long.
Data: <0v‘x > 30 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000011F78916520, 16 bytes long.
Data: < v‘x > 08 76 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000011F78910DE0, 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 0x0000011F78916C00, 16 bytes long.
Data: <àu‘x > E0 75 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000011F78910B40, 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 0x0000011F78916B60, 16 bytes long.
Data: <(u‘x > 28 75 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000011F789170B0, 16 bytes long.
Data: < u‘x > 00 75 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000011F78917240, 16 bytes long.
Data: <Øt‘x > D8 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000011F78916D40, 16 bytes long.
Data: <°t‘x > B0 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000011F789164D0, 16 bytes long.
Data: < t‘x > 88 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000011F78916660, 16 bytes long.
Data: <`t‘x > 60 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000011F78917010, 16 bytes long.
Data: <@_‘x > 40 5F 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000011F78915F40, 40 bytes long.
Data: < p‘x …pz > 10 70 91 78 1F 01 00 00 10 85 70 7A 1F 01 00 00
{261} normal block at 0x0000011F78917290, 16 bytes long.
Data: <@t‘x > 40 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000011F789165C0, 16 bytes long.
Data: < t‘x > 18 74 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000011F78911260, 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 0x0000011F78916F20, 16 bytes long.
Data: <ðs‘x > F0 73 91 78 1F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000011F789173F0, 992 bytes long.
Data: < o‘x ` ‘x > 20 6F 91 78 1F 01 00 00 60 12 91 78 1F 01 00 00
{93} normal block at 0x0000011F78910F00, 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 0x0000011F789100B0, 16 bytes long.
Data: <Põ x > 50 F5 90 78 1F 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000011F7890F550, 40 bytes long.
Data: <° ‘x ‘x > B0 00 91 78 1F 01 00 00 00 0F 91 78 1F 01 00 00
{70} normal block at 0x0000011F78910470, 16 bytes long.
Data: < êËe÷ > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000011F7890F6B0, 16 bytes long.
Data: <@éËe÷ > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000011F7890F8E0, 16 bytes long.
Data: <øWÈe÷ > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000011F78910240, 16 bytes long.
Data: <ØWÈe÷ > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000011F7890FA70, 16 bytes long.
Data: <P Èe÷ > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000011F78910150, 16 bytes long.
Data: <0 Èe÷ > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000011F78910100, 16 bytes long.
Data: <à Èe÷ > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000011F78910560, 16 bytes long.
Data: < Èe÷ > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000011F7890FED0, 16 bytes long.
Data: <p Èe÷ > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000011F7890FF70, 16 bytes long.
Data: < ÀÆe÷ > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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