Task 38681838
| Name | test_664-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4414_0 |
| Workunit | 31623484 |
| Created | 27 Oct 2026, 5:33:15 UTC |
| Sent | 27 Oct 2026, 5:33:20 UTC |
| Report deadline | 1 Nov 2026, 5:33:20 UTC |
| Received | 27 Oct 2026, 6:06:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648831 |
| Run time | 28 min 42 sec |
| CPU time | 25 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.45 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:34 (17612): wrapper (7.9.26016): starting
14:29:34 (17612): 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
14:29:47 (17612): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:29:47 (17612): 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\28\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\28\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 2026-10-27 14:31:32 is 92.1867361 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-27 14:31:33 is 92.9471322 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-27 14:31:37 is 96.7127178 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-27 14:31:38 is 97.4857773 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-27 14:31:38 is 97.1807978 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-27 14:31:39 is 97.6806593 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-27 14:31:40 is 98.215456 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-27 14:31:41 is 98.735348 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-27 14:31:43 is 100.2154402 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-27 14:31:45 is 101.7234259 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-27 14:31:46 is 102.2221315 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-27 14:31:47 is 102.6910825 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-27 14:31:33 is 88.1010577 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-27 14:31:48 is 102.5241507 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-27 14:31:49 is 102.9208385 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-27 14:31:34 is 87.2912645 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-27 14:31:34 is 86.7257969 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-27 14:31:35 is 87.2056788 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-27 14:31:35 is 86.5713575 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-27 14:31:36 is 87.0385862 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-27 14:31:36 is 86.4779036 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-27 14:31:37 is 86.9057097 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:56:34 (17612): C:/Windows/system32/cmd.exe exited; CPU time 1542.468750
14:56:34 (17612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 28574655 bytes.
Dumping objects ->
{3835368} normal block at 0x000002333A90EB70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835357} normal block at 0x000002333A90EC50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835346} normal block at 0x000002333A90F190, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835335} normal block at 0x000002333A90EEF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835324} normal block at 0x000002333A90F270, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835293} normal block at 0x000002333C90EBA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835282} normal block at 0x000002333C923D80, 102 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) : {3835279} normal block at 0x000002333A8E00B0, 8 bytes long.
Data: < :3 > 00 00 8A 3A 33 02 00 00
{3834663} normal block at 0x000002333C923750, 102 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 0x000002333A8E0010, 8 bytes long.
Data: < <3 > 80 EB 81 3C 33 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002333A8DAC70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002333A8D3910, 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 0x000002333A8EB490, 16 bytes long.
Data: <xÇ :3 > 78 C7 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002333A8EC3E0, 16 bytes long.
Data: <PÇ :3 > 50 C7 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002333A8E76C0, 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 0x000002333A8EB800, 16 bytes long.
Data: <(Ç :3 > 28 C7 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002333A8EC340, 16 bytes long.
Data: < Ç :3 > 00 C7 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002333A8EB6C0, 16 bytes long.
Data: <ØÆ :3 > D8 C6 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002333A8EBD50, 16 bytes long.
Data: <°Æ :3 > B0 C6 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002333A8E6260, 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 0x000002333A8EBC10, 16 bytes long.
Data: <¸ :3 > B8 09 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002333A8E7E40, 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 0x000002333A8EB7B0, 16 bytes long.
Data: < :3 > 90 09 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002333A8EBBC0, 16 bytes long.
Data: <h :3 > 68 09 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002333A8EB670, 16 bytes long.
Data: <@ :3 > 40 09 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002333A8EB760, 16 bytes long.
Data: < :3 > 18 09 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002333A8EB580, 16 bytes long.
Data: < :3 > F0 08 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002333A8EC070, 16 bytes long.
Data: <È :3 > C8 08 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002333A8E7660, 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 0x000002333A8EC160, 16 bytes long.
Data: < :3 > A0 08 8D 3A 33 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002333A8D08A0, 320 bytes long.
Data: <`Á :3 `v :3 > 60 C1 8E 3A 33 02 00 00 60 76 8E 3A 33 02 00 00
{277} normal block at 0x000002333A8EC250, 16 bytes long.
Data: < Æ :3 > 90 C6 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002333A8EBFD0, 16 bytes long.
Data: <hÆ :3 > 68 C6 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002333A8E7540, 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 0x000002333A8EB4E0, 16 bytes long.
Data: <@Æ :3 > 40 C6 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002333A8E7900, 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 0x000002333A8EB710, 16 bytes long.
Data: < Å :3 > 88 C5 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002333A8EC2F0, 16 bytes long.
Data: <`Å :3 > 60 C5 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002333A8EB620, 16 bytes long.
Data: <8Å :3 > 38 C5 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002333A8EBA30, 16 bytes long.
Data: < Å :3 > 10 C5 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002333A8EB940, 16 bytes long.
Data: < Ä :3 > E8 C4 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002333A8EC200, 16 bytes long.
Data: <ÀÄ :3 > C0 C4 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002333A8EBE90, 16 bytes long.
Data: <@c :3 > 40 63 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002333A8E6340, 40 bytes long.
Data: < ¾ :3 <3 > 90 BE 8E 3A 33 02 00 00 A0 EB 90 3C 33 02 00 00
{263} normal block at 0x000002333A8EBEE0, 16 bytes long.
Data: < Ä :3 > A0 C4 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002333A8EC020, 16 bytes long.
Data: <xÄ :3 > 78 C4 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002333A8E78A0, 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 0x000002333A8EBB20, 16 bytes long.
Data: <PÄ :3 > 50 C4 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002333A8EC450, 992 bytes long.
Data: < » :3 x :3 > 20 BB 8E 3A 33 02 00 00 A0 78 8E 3A 33 02 00 00
{95} normal block at 0x000002333A8E75A0, 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 0x000002333A8E04C0, 16 bytes long.
Data: < a :3 > F0 61 8E 3A 33 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002333A8E61F0, 40 bytes long.
Data: <À :3 u :3 > C0 04 8E 3A 33 02 00 00 A0 75 8E 3A 33 02 00 00
{70} normal block at 0x000002333A8E0100, 16 bytes long.
Data: < ; > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002333A8DFFC0, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002333A8DFB60, 16 bytes long.
Data: < W ; > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002333A8E0740, 16 bytes long.
Data: <ØW ; > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002333A8E0420, 16 bytes long.
Data: <P ; > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002333A8DFA20, 16 bytes long.
Data: <0 ; > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002333A8E05B0, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002333A8DF890, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002333A8E0060, 16 bytes long.
Data: <p ; > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002333A8DF9D0, 16 bytes long.
Data: < À : > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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