Task 38688595
| Name | test_186-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6840_0 |
| Workunit | 31629932 |
| Created | 28 Oct 2026, 15:01:15 UTC |
| Sent | 28 Oct 2026, 15:01:18 UTC |
| Report deadline | 2 Nov 2026, 15:01:18 UTC |
| Received | 28 Oct 2026, 15:31:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648831 |
| Run time | 27 min 55 sec |
| CPU time | 24 min 49 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 | 738.40 MB |
| Peak swap size | 13.16 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:56:22 (15888): wrapper (7.9.26016): starting
23:56:22 (15888): 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
23:56:24 (15888): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:56:24 (15888): 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 2026-10-28 23:59:25 is 169.349023 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-28 23:59:26 is 169.9179699 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-28 23:59:38 is 181.4946533 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-28 23:59:39 is 182.0720433 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-28 23:59:41 is 183.6350176 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-28 23:59:42 is 184.1915587 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-28 23:59:43 is 184.7325597 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-28 23:59:45 is 186.2223283 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-28 23:59:46 is 186.7266311 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-28 23:59:47 is 187.2464108 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-28 23:59:49 is 188.7400252 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-28 23:59:50 is 189.1792611 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-28 23:59:28 is 166.659098 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-28 23:59:51 is 189.1428789 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-28 23:59:53 is 190.5708408 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-28 23:59:29 is 166.0229578 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-28 23:59:30 is 166.4278239 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-28 23:59:32 is 167.8783272 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-28 23:59:33 is 168.397306 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-28 23:59:34 is 168.8977674 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-28 23:59:35 is 169.3956905 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-28 23:59:37 is 170.9085937 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
00:22:32 (15888): C:/Windows/system32/cmd.exe exited; CPU time 1489.906250
00:22:32 (15888): 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: 27921417 bytes.
Dumping objects ->
{3835370} normal block at 0x0000025373DFD720, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835359} normal block at 0x0000025373DFDB10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835348} normal block at 0x0000025373DFD6B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835337} normal block at 0x0000025373DFE3D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835326} normal block at 0x0000025373DFE280, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835295} normal block at 0x0000025375E5D2D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835284} normal block at 0x0000025375E71FB0, 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) : {3835281} normal block at 0x0000025373DCDF90, 8 bytes long.
Data: < tS > 00 00 14 74 53 02 00 00
{3834663} normal block at 0x0000025375E72E20, 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 0x0000025373DCDF40, 8 bytes long.
Data: <`ÛÛsS > 60 DB DB 73 53 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025373DC8EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000025373DC1E50, 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 0x0000025373DD9F80, 16 bytes long.
Data: <(³ÝsS > 28 B3 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025373DDA4D0, 16 bytes long.
Data: < ³ÝsS > 00 B3 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025373DD6330, 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 0x0000025373DDA750, 16 bytes long.
Data: <زÝsS > D8 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025373DDA930, 16 bytes long.
Data: <°²ÝsS > B0 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025373DDA8E0, 16 bytes long.
Data: < ²ÝsS > 88 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025373DDA6B0, 16 bytes long.
Data: <`²ÝsS > 60 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025373DD48C0, 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 0x0000025373DDA2F0, 16 bytes long.
Data: <( ÝsS > 28 9D DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025373DD61B0, 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 0x0000025373DD9F30, 16 bytes long.
Data: < ÝsS > 00 9D DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025373DD9E90, 16 bytes long.
Data: <Ø ÝsS > D8 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025373DDAA20, 16 bytes long.
Data: <° ÝsS > B0 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025373DDA570, 16 bytes long.
Data: < ÝsS > 88 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025373DDA610, 16 bytes long.
Data: <` ÝsS > 60 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025373DDA9D0, 16 bytes long.
Data: <8 ÝsS > 38 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025373DD64B0, 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 0x0000025373DDA070, 16 bytes long.
Data: < ÝsS > 10 9C DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025373DD9C10, 320 bytes long.
Data: <p ÝsS °dÝsS > 70 A0 DD 73 53 02 00 00 B0 64 DD 73 53 02 00 00
{277} normal block at 0x0000025373DDA3E0, 16 bytes long.
Data: <@²ÝsS > 40 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025373DDAAC0, 16 bytes long.
Data: < ²ÝsS > 18 B2 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025373DD63F0, 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 0x0000025373DDAC00, 16 bytes long.
Data: < ±ÝsS > F0 B1 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025373DD59D0, 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 0x0000025373DDADE0, 16 bytes long.
Data: <8±ÝsS > 38 B1 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025373DDA7F0, 16 bytes long.
Data: < ±ÝsS > 10 B1 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000025373DDA2A0, 16 bytes long.
Data: < °ÝsS > E8 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025373DDA250, 16 bytes long.
Data: <À°ÝsS > C0 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025373DDAD90, 16 bytes long.
Data: < °ÝsS > 98 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025373DDAD40, 16 bytes long.
Data: <p°ÝsS > 70 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025373DD9EE0, 16 bytes long.
Data: <ÐDÝsS > D0 44 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025373DD44D0, 40 bytes long.
Data: < ÝsS ÐÒ uS > E0 9E DD 73 53 02 00 00 D0 D2 E5 75 53 02 00 00
{263} normal block at 0x0000025373DDA7A0, 16 bytes long.
Data: <P°ÝsS > 50 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025373DDACA0, 16 bytes long.
Data: <(°ÝsS > 28 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025373DD5970, 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 0x0000025373DDA660, 16 bytes long.
Data: < °ÝsS > 00 B0 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025373DDB000, 992 bytes long.
Data: <`¦ÝsS pYÝsS > 60 A6 DD 73 53 02 00 00 70 59 DD 73 53 02 00 00
{95} normal block at 0x0000025373DD66F0, 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 0x0000025373DCE800, 16 bytes long.
Data: < FÝsS > 20 46 DD 73 53 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000025373DD4620, 40 bytes long.
Data: < ÜsS fÝsS > 00 E8 DC 73 53 02 00 00 F0 66 DD 73 53 02 00 00
{70} normal block at 0x0000025373DCE530, 16 bytes long.
Data: < ; > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025373DCE990, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025373DCE7B0, 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 0x0000025373DCE940, 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 0x0000025373DCDEF0, 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 0x0000025373DCE440, 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 0x0000025373DCE8F0, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025373DCE8A0, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025373DCDD60, 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 0x0000025373DCE2B0, 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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