Task 38650510
| Name | test_753-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND2441_0 |
| Workunit | 31595009 |
| Created | 23 Oct 2026, 23:36:49 UTC |
| Sent | 23 Oct 2026, 23:45:19 UTC |
| Report deadline | 28 Oct 2026, 23:45:19 UTC |
| Received | 27 Oct 2026, 14:01:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654837 |
| Run time | 37 min 30 sec |
| CPU time | 37 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 427.25 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:35:58 (34328): wrapper (7.9.26016): starting
19:35:58 (34328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
19:36:00 (19612): wrapper (7.9.26016): starting
19:36:00 (19612): 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
19:36:09 (19612): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:36:09 (19612): 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\17\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\17\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
08:57:31 (19612): C:/Windows/system32/cmd.exe exited; CPU time 2250.406250
08:57:31 (19612): 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: 56193679 bytes.
Dumping objects ->
{1865} normal block at 0x000001E220B74BE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x000001E220B74710, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x000001E220B748D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x000001E220B74C50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x000001E220B74B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x000001E220B69050, 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) : {1777} normal block at 0x000001E220B755F0, 8 bytes long.
Data: < a" > 00 00 61 22 E2 01 00 00
{303} normal block at 0x000001E220B76270, 8 bytes long.
Data: < e > B0 65 B7 20 E2 01 00 00
{295} normal block at 0x000001E220B66A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001E220B76310, 16 bytes long.
Data: < T > A8 54 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E220B75FA0, 16 bytes long.
Data: < T > 80 54 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E220B6FA50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001E220B75910, 16 bytes long.
Data: <XT > 58 54 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E220B761D0, 16 bytes long.
Data: <0T > 30 54 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E220B75D20, 16 bytes long.
Data: < T > 08 54 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E220B760E0, 16 bytes long.
Data: < S > E0 53 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E220B745C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001E220B76400, 16 bytes long.
Data: <H > 48 B5 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E220B6FC30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001E220B75B40, 16 bytes long.
Data: < > 20 B5 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E220B75A50, 16 bytes long.
Data: < > F8 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E220B75CD0, 16 bytes long.
Data: < > D0 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E220B76040, 16 bytes long.
Data: < > A8 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E220B76220, 16 bytes long.
Data: < > 80 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E220B76130, 16 bytes long.
Data: <X > 58 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E220B6F930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001E220B75640, 16 bytes long.
Data: <0 > 30 B4 B5 20 E2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E220B5B430, 320 bytes long.
Data: <@V 0 > 40 56 B7 20 E2 01 00 00 30 F9 B6 20 E2 01 00 00
{274} normal block at 0x000001E220B75C80, 16 bytes long.
Data: < S > C0 53 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E220B75AF0, 16 bytes long.
Data: < S > 98 53 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E220B70170, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001E220B75960, 16 bytes long.
Data: <pS > 70 53 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E220B6F750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001E220B75780, 16 bytes long.
Data: < R > B8 52 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E220B756E0, 16 bytes long.
Data: < R > 90 52 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E220B762C0, 16 bytes long.
Data: <hR > 68 52 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E220B75B90, 16 bytes long.
Data: <@R > 40 52 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E220B764F0, 16 bytes long.
Data: < R > 18 52 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E220B6F2B0, 16 bytes long.
Data: < Q > F0 51 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E220B6EF40, 16 bytes long.
Data: < L > C0 4C B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E220B74CC0, 40 bytes long.
Data: <@ P > 40 EF B6 20 E2 01 00 00 50 90 B6 20 E2 01 00 00
{260} normal block at 0x000001E220B6E810, 16 bytes long.
Data: < Q > D0 51 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E220B6E680, 16 bytes long.
Data: < Q > A8 51 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E220B6FAB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001E220B6F580, 16 bytes long.
Data: < Q > 80 51 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E220B75180, 992 bytes long.
Data: < > 80 F5 B6 20 E2 01 00 00 B0 FA B6 20 E2 01 00 00
{92} normal block at 0x000001E220B70410, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001E220B6EAE0, 16 bytes long.
Data: <@I > 40 49 B7 20 E2 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E220B74940, 40 bytes long.
Data: < > E0 EA B6 20 E2 01 00 00 10 04 B7 20 E2 01 00 00
{69} normal block at 0x000001E220B6EC70, 16 bytes long.
Data: < D > 80 EA D3 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E220B6EBD0, 16 bytes long.
Data: <@ D > 40 E9 D3 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E220B6F530, 16 bytes long.
Data: < W D > F8 57 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E220B6EE00, 16 bytes long.
Data: < W D > D8 57 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E220B6E9A0, 16 bytes long.
Data: <P D > 50 04 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E220B6F490, 16 bytes long.
Data: <0 D > 30 04 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E220B6EDB0, 16 bytes long.
Data: < D > E0 02 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E220B6EB80, 16 bytes long.
Data: < D > 10 04 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E220B6EA40, 16 bytes long.
Data: <p D > 70 04 D0 44 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E220B6EB30, 16 bytes long.
Data: < D > 18 C0 CE 44 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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