Task 38699017
| Name | test_280-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5686_0 |
| Workunit | 31639470 |
| Created | 3 Nov 2026, 10:46:52 UTC |
| Sent | 3 Nov 2026, 10:46:58 UTC |
| Report deadline | 8 Nov 2026, 10:46:58 UTC |
| Received | 3 Nov 2026, 15:04:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655048 |
| Run time | 1 hours 14 min 25 sec |
| CPU time | 1 hours 9 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 649.43 MB |
| Peak swap size | 2.30 GB |
| Peak disk usage | 3.58 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:50:02 (9436): wrapper (7.9.26016): starting
14:50:02 (9436): 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
14:50:04 (9436): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:50:04 (9436): 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
16:02:42 (9436): C:/Windows/system32/cmd.exe exited; CPU time 4160.484375
16:02:42 (9436): 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: 49166811 bytes.
Dumping objects ->
{3835183} normal block at 0x0000027376DD6730, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x0000027376DD6B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x0000027376DD6F10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835150} normal block at 0x0000027376DD7140, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835139} normal block at 0x0000027376DD6EA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835108} normal block at 0x00000273789B4310, 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) : {3835095} normal block at 0x0000027376DA5C70, 8 bytes long.
Data: < ‡xs > 00 00 87 78 73 02 00 00
{3833951} normal block at 0x0000027376DA5F90, 8 bytes long.
Data: <p xs > 70 15 A1 78 73 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027376DB3350, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027376D963E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000027376DB25E0, 16 bytes long.
Data: < 1Ûvs > 18 31 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027376DB2B80, 16 bytes long.
Data: <ð0Ûvs > F0 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027376DABB00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000027376DB1CD0, 16 bytes long.
Data: <È0Ûvs > C8 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027376DB2590, 16 bytes long.
Data: < 0Ûvs > A0 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027376DB2860, 16 bytes long.
Data: <x0Ûvs > 78 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027376DB2680, 16 bytes long.
Data: <P0Ûvs > 50 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027376DAA2E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000027376DB29A0, 16 bytes long.
Data: < Ûvs > 18 1B DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027376DABA40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000027376DB1D20, 16 bytes long.
Data: <ð Ûvs > F0 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027376DB1E60, 16 bytes long.
Data: <È Ûvs > C8 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027376DB2180, 16 bytes long.
Data: <  Ûvs > A0 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027376DB2540, 16 bytes long.
Data: <x Ûvs > 78 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027376DB2720, 16 bytes long.
Data: <P Ûvs > 50 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027376DB24F0, 16 bytes long.
Data: <( Ûvs > 28 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027376DABF80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000027376DB2950, 16 bytes long.
Data: < Ûvs > 00 1A DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027376DB1A00, 320 bytes long.
Data: <P)Ûvs ¿Úvs > 50 29 DB 76 73 02 00 00 80 BF DA 76 73 02 00 00
{271} normal block at 0x0000027376DB24A0, 16 bytes long.
Data: <00Ûvs > 30 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027376DB28B0, 16 bytes long.
Data: < 0Ûvs > 08 30 DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027376DAB800, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000027376DB1D70, 16 bytes long.
Data: <à/Ûvs > E0 2F DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027376DAB7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000027376DB2A90, 16 bytes long.
Data: <(/Ûvs > 28 2F DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027376DB1DC0, 16 bytes long.
Data: < /Ûvs > 00 2F DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027376DB2900, 16 bytes long.
Data: <Ø.Ûvs > D8 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027376DB2400, 16 bytes long.
Data: <°.Ûvs > B0 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027376DB2130, 16 bytes long.
Data: < .Ûvs > 88 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027376DB2A40, 16 bytes long.
Data: <`.Ûvs > 60 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027376DB23B0, 16 bytes long.
Data: <P£Úvs > 50 A3 DA 76 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027376DAA350, 40 bytes long.
Data: <°#Ûvs C›xs > B0 23 DB 76 73 02 00 00 10 43 9B 78 73 02 00 00
{257} normal block at 0x0000027376DB2630, 16 bytes long.
Data: <@.Ûvs > 40 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027376DB2450, 16 bytes long.
Data: < .Ûvs > 18 2E DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027376DABF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000027376DB2220, 16 bytes long.
Data: <ð-Ûvs > F0 2D DB 76 73 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027376DB2DF0, 992 bytes long.
Data: < "Ûvs ¿Úvs > 20 22 DB 76 73 02 00 00 20 BF DA 76 73 02 00 00
{89} normal block at 0x0000027376DAC0A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000027376DA5540, 16 bytes long.
Data: < Úvs > 90 A1 DA 76 73 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000027376DAA190, 40 bytes long.
Data: <@UÚvs  ÀÚvs > 40 55 DA 76 73 02 00 00 A0 C0 DA 76 73 02 00 00
{66} normal block at 0x0000027376DA5D10, 16 bytes long.
Data: < êXØ÷ > 80 EA 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027376DA5B80, 16 bytes long.
Data: <@éXØ÷ > 40 E9 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027376DA6300, 16 bytes long.
Data: <øWUØ÷ > F8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027376DA5B30, 16 bytes long.
Data: <ØWUØ÷ > D8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027376DA5AE0, 16 bytes long.
Data: <P UØ÷ > 50 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027376DA61C0, 16 bytes long.
Data: <0 UØ÷ > 30 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027376DA5900, 16 bytes long.
Data: <à UØ÷ > E0 02 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027376DA5EA0, 16 bytes long.
Data: < UØ÷ > 10 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027376DA5770, 16 bytes long.
Data: <p UØ÷ > 70 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027376DA5A40, 16 bytes long.
Data: < ÀSØ÷ > 18 C0 53 D8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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