Task 38682319
| Name | test_566-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6042_0 |
| Workunit | 31623939 |
| Created | 27 Oct 2026, 7:19:52 UTC |
| Sent | 27 Oct 2026, 7:19:56 UTC |
| Report deadline | 1 Nov 2026, 7:19:56 UTC |
| Received | 27 Oct 2026, 10:22:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 31 min 4 sec |
| CPU time | 29 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.80 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:51:54 (14460): wrapper (7.9.26016): starting
18:51:54 (14460): 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
18:51:55 (14460): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:51:55 (14460): 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\2\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\2\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
19:22:03 (14460): C:/Windows/system32/cmd.exe exited; CPU time 1749.718750
19:22:03 (14460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 34847977 bytes.
Dumping objects ->
{3835334} normal block at 0x0000021AEAE45A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835323} normal block at 0x0000021AEAE45D20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835312} normal block at 0x0000021AEAE45E00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835301} normal block at 0x0000021AEAE45CB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835290} normal block at 0x0000021AEAE45D90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835259} normal block at 0x0000021AECF98CC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x0000021AEAE8F950, 140 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) : {3835245} normal block at 0x0000021AEAE3E940, 8 bytes long.
Data: < > 00 00 DD EA 1A 02 00 00
{3834646} normal block at 0x0000021AEAE8ED20, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834061} normal block at 0x0000021AEAE3E170, 8 bytes long.
Data: <P: > 50 3A E4 EA 1A 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021AEAE40AF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000021AEAE35A20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000021AEAE44840, 16 bytes long.
Data: < V > 98 56 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000021AEAE444D0, 16 bytes long.
Data: <pV > 70 56 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000021AEAE3F980, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000021AEAE447F0, 16 bytes long.
Data: <HV > 48 56 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021AEAE44520, 16 bytes long.
Data: < V > 20 56 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000021AEAE44AC0, 16 bytes long.
Data: < U > F8 55 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021AEAE44430, 16 bytes long.
Data: < U > D0 55 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021AEAE45B60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000021AEAE44CA0, 16 bytes long.
Data: < > 08 B5 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021AEAE3EFC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000021AEAE447A0, 16 bytes long.
Data: < > E0 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021AEAE44750, 16 bytes long.
Data: < > B8 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021AEAE45100, 16 bytes long.
Data: < > 90 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021AEAE44890, 16 bytes long.
Data: <h > 68 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021AEAE44A70, 16 bytes long.
Data: <@ > 40 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021AEAE45010, 16 bytes long.
Data: < > 18 B4 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021AEAE3F680, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000021AEAE443E0, 16 bytes long.
Data: < > F0 B3 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021AEAE2B3F0, 320 bytes long.
Data: < C > E0 43 E4 EA 1A 02 00 00 80 F6 E3 EA 1A 02 00 00
{277} normal block at 0x0000021AEAE44200, 16 bytes long.
Data: < U > B0 55 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021AEAE44FC0, 16 bytes long.
Data: < U > 88 55 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021AEAE3ED20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000021AEAE44F70, 16 bytes long.
Data: <`U > 60 55 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021AEAE3EF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000021AEAE442A0, 16 bytes long.
Data: < T > A8 54 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021AEAE44DE0, 16 bytes long.
Data: < T > 80 54 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021AEAE450B0, 16 bytes long.
Data: <XT > 58 54 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021AEAE44250, 16 bytes long.
Data: <0T > 30 54 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021AEAE44340, 16 bytes long.
Data: < T > 08 54 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021AEAE44F20, 16 bytes long.
Data: < S > E0 53 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021AEAE44A20, 16 bytes long.
Data: <` > 60 E5 E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021AEAE2E560, 40 bytes long.
Data: < J > 20 4A E4 EA 1A 02 00 00 C0 8C F9 EC 1A 02 00 00
{263} normal block at 0x0000021AEAE44CF0, 16 bytes long.
Data: < S > C0 53 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021AEAE44E30, 16 bytes long.
Data: < S > 98 53 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021AEAE3F200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000021AEAE44980, 16 bytes long.
Data: <pS > 70 53 E4 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021AEAE45370, 992 bytes long.
Data: < I > 80 49 E4 EA 1A 02 00 00 00 F2 E3 EA 1A 02 00 00
{95} normal block at 0x0000021AEAE3F6E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000021AEAE3E0D0, 16 bytes long.
Data: <@ > 40 EE E2 EA 1A 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000021AEAE2EE40, 40 bytes long.
Data: < > D0 E0 E3 EA 1A 02 00 00 E0 F6 E3 EA 1A 02 00 00
{70} normal block at 0x0000021AEAE3DD10, 16 bytes long.
Data: < g > 80 EA DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021AEAE3E030, 16 bytes long.
Data: <@ g > 40 E9 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021AEAE3E3A0, 16 bytes long.
Data: < W g > F8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021AEAE3E530, 16 bytes long.
Data: < W g > D8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021AEAE3E8A0, 16 bytes long.
Data: <P g > 50 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021AEAE3DF90, 16 bytes long.
Data: <0 g > 30 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021AEAE3E350, 16 bytes long.
Data: < g > E0 02 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021AEAE3DFE0, 16 bytes long.
Data: < g > 10 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021AEAE3E4E0, 16 bytes long.
Data: <p g > 70 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021AEAE3E990, 16 bytes long.
Data: < g > 18 C0 D8 67 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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