Task 38686576
| Name | test_219-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5472_0 |
| Workunit | 31628005 |
| Created | 28 Oct 2026, 3:16:58 UTC |
| Sent | 28 Oct 2026, 3:17:03 UTC |
| Report deadline | 2 Nov 2026, 3:17:03 UTC |
| Received | 28 Oct 2026, 4:35:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647966 |
| Run time | 1 hours 17 min 1 sec |
| CPU time | 1 hours 15 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.17 MB |
| Peak swap size | 13.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:14:31 (15244): wrapper (7.9.26016): starting
10:14:31 (15244): 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
10:14:32 (15244): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:14:32 (15244): 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.
tar: r0/checkpoint.xml: time stamp 2026-10-28 10:15:00 is 17.2788959 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-28 10:15:01 is 17.9609854 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-28 10:15:09 is 25.6437869 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-28 10:15:10 is 26.3277955 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-28 10:15:11 is 27.0089306 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-28 10:15:12 is 27.6908068 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-28 10:15:13 is 28.3734728 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-28 10:15:14 is 29.0553479 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-28 10:15:14 is 28.7361459 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-28 10:15:15 is 29.4200408 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-28 10:15:16 is 30.1024963 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-28 10:15:17 is 30.7854255 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-28 10:15:02 is 15.4698587 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-28 10:15:18 is 31.1320723 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-28 10:15:19 is 31.8154697 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-28 10:15:03 is 15.4998882 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-28 10:15:04 is 16.1836657 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-28 10:15:05 is 16.8663462 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-28 10:15:05 is 16.5495913 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-28 10:15:06 is 17.2334731 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-28 10:15:07 is 17.9162147 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-28 10:15:08 is 18.6107625 s in the future
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: Exiting with failure status due to previous errors
11:30:14 (15244): C:/Windows/system32/cmd.exe exited; CPU time 4510.625000
11:30:14 (15244): 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: 67897715 bytes.
Dumping objects ->
{3835234} normal block at 0x0000025338E35CC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000025338E35C50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x0000025338E35E80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835201} normal block at 0x0000025338E35BE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835190} normal block at 0x0000025338E35E10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835159} normal block at 0x000002533AC8DA90, 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) : {3835146} normal block at 0x0000025338E2AAC0, 8 bytes long.
Data: < /9S > 00 00 2F 39 53 02 00 00
{3833977} normal block at 0x0000025338E2AED0, 8 bytes long.
Data: < Ùð8S > A0 D9 F0 38 53 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000025338E322F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000025338E26EB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000025338E36220, 16 bytes long.
Data: <Èsã8S > C8 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000025338E369A0, 16 bytes long.
Data: < sã8S > A0 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000025338E2F510, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000025338E36F40, 16 bytes long.
Data: <xsã8S > 78 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025338E36630, 16 bytes long.
Data: <Psã8S > 50 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000025338E364F0, 16 bytes long.
Data: <(sã8S > 28 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025338E36E00, 16 bytes long.
Data: < sã8S > 00 73 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025338E35EF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000025338E36450, 16 bytes long.
Data: <¸ýá8S > B8 FD E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025338E2ED90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000025338E36770, 16 bytes long.
Data: < ýá8S > 90 FD E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025338E360E0, 16 bytes long.
Data: <hýá8S > 68 FD E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025338E364A0, 16 bytes long.
Data: <@ýá8S > 40 FD E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025338E36FE0, 16 bytes long.
Data: < ýá8S > 18 FD E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025338E362C0, 16 bytes long.
Data: <ðüá8S > F0 FC E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025338E369F0, 16 bytes long.
Data: <Èüá8S > C8 FC E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025338E2F390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000025338E36E50, 16 bytes long.
Data: < üá8S > A0 FC E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025338E1FCA0, 320 bytes long.
Data: <Pnã8S óâ8S > 50 6E E3 38 53 02 00 00 90 F3 E2 38 53 02 00 00
{284} normal block at 0x0000025338E36900, 16 bytes long.
Data: <àrã8S > E0 72 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025338E36360, 16 bytes long.
Data: <¸rã8S > B8 72 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025338E2E9D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000025338E36C20, 16 bytes long.
Data: < rã8S > 90 72 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025338E2F210, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000025338E365E0, 16 bytes long.
Data: <Øqã8S > D8 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025338E361D0, 16 bytes long.
Data: <°qã8S > B0 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025338E368B0, 16 bytes long.
Data: < qã8S > 88 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025338E36180, 16 bytes long.
Data: <`qã8S > 60 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025338E36130, 16 bytes long.
Data: <8qã8S > 38 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025338E36540, 16 bytes long.
Data: < qã8S > 10 71 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025338E36860, 16 bytes long.
Data: <`_ã8S > 60 5F E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025338E35F60, 40 bytes long.
Data: <`hã8S ÚÈ:S > 60 68 E3 38 53 02 00 00 90 DA C8 3A 53 02 00 00
{270} normal block at 0x0000025338E36F90, 16 bytes long.
Data: <ðpã8S > F0 70 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025338E366D0, 16 bytes long.
Data: <Èpã8S > C8 70 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025338E2F3F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000025338E36BD0, 16 bytes long.
Data: < pã8S > A0 70 E3 38 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025338E370A0, 992 bytes long.
Data: <Ðkã8S ðóâ8S > D0 6B E3 38 53 02 00 00 F0 F3 E2 38 53 02 00 00
{102} normal block at 0x0000025338E2F2D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000025338E2AA70, 16 bytes long.
Data: < îá8S > 80 EE E1 38 53 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000025338E1EE80, 40 bytes long.
Data: <pªâ8S Ðòâ8S > 70 AA E2 38 53 02 00 00 D0 F2 E2 38 53 02 00 00
{79} normal block at 0x0000025338E2A980, 16 bytes long.
Data: < êÓíö > 80 EA D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000025338E2A930, 16 bytes long.
Data: <@éÓíö > 40 E9 D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000025338E2ABB0, 16 bytes long.
Data: <øWÐíö > F8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000025338E2B330, 16 bytes long.
Data: <ØWÐíö > D8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000025338E2AB10, 16 bytes long.
Data: <P Ðíö > 50 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000025338E2A890, 16 bytes long.
Data: <0 Ðíö > 30 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000025338E2B420, 16 bytes long.
Data: <à Ðíö > E0 02 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025338E2B3D0, 16 bytes long.
Data: < Ðíö > 10 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025338E2B4C0, 16 bytes long.
Data: <p Ðíö > 70 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025338E2B2E0, 16 bytes long.
Data: < ÀÎíö > 18 C0 CE ED F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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