Task 38681573
| Name | test_522-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3490_0 |
| Workunit | 31623234 |
| Created | 27 Oct 2026, 4:29:42 UTC |
| Sent | 27 Oct 2026, 4:29:48 UTC |
| Report deadline | 1 Nov 2026, 4:29:48 UTC |
| Received | 27 Oct 2026, 5:01:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648831 |
| Run time | 28 min 44 sec |
| CPU time | 26 min 3 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 | 736.12 MB |
| Peak swap size | 13.14 GB |
| Peak disk usage | 3.90 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:24:27 (20844): wrapper (7.9.26016): starting
13:24:27 (20844): 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
13:24:29 (20844): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:24:29 (20844): 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 13:27:58 is 197.960291 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-27 13:27:59 is 198.7423527 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-27 13:28:02 is 201.5183179 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-27 13:28:03 is 202.2977777 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-27 13:28:03 is 201.9085276 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-27 13:28:03 is 201.4740855 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-27 13:28:04 is 202.0109288 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-27 13:28:04 is 201.5794892 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-27 13:28:04 is 201.1299614 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-27 13:28:05 is 201.5364283 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-27 13:28:05 is 200.9845449 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-27 13:28:06 is 201.4064841 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-27 13:27:59 is 193.842401 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-27 13:28:06 is 200.2653523 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-27 13:28:06 is 199.6795939 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-27 13:28:00 is 193.1416565 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-27 13:28:00 is 192.7828035 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-27 13:28:00 is 192.552978 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-27 13:28:01 is 193.3263584 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-27 13:28:01 is 192.9601005 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-27 13:28:01 is 192.4263584 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-27 13:28:02 is 192.910802 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
13:51:43 (20844): C:/Windows/system32/cmd.exe exited; CPU time 1563.937500
13:51:43 (20844): 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: 28670045 bytes.
Dumping objects ->
{3835368} normal block at 0x000002388682D3F0, 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 0x000002388682CCF0, 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 0x000002388682CEB0, 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 0x000002388682CD60, 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 0x000002388682DA10, 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 0x00000238888D7820, 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 0x00000238888F16A0, 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 0x00000238867FE040, 8 bytes long.
Data: < | 8 > 00 00 7C 86 38 02 00 00
{3834663} normal block at 0x00000238888F1A10, 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 0x00000238867FDE10, 8 bytes long.
Data: <0 8 > 30 EA 8D 86 38 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000238867F8700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000238867EF0E0, 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 0x0000023886809770, 16 bytes long.
Data: <h© 8 > 68 A9 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002388680A0D0, 16 bytes long.
Data: <@© 8 > 40 A9 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023886805750, 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 0x0000023886809950, 16 bytes long.
Data: < © 8 > 18 A9 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023886809BD0, 16 bytes long.
Data: < ¨ 8 > F0 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000238868096D0, 16 bytes long.
Data: <Ȩ 8 > C8 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023886809FE0, 16 bytes long.
Data: < ¨ 8 > A0 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023886804350, 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 0x0000023886809C70, 16 bytes long.
Data: < 8 > 98 09 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023886805C30, 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 0x0000023886809720, 16 bytes long.
Data: <p 8 > 70 09 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023886809860, 16 bytes long.
Data: <H 8 > 48 09 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002388680A120, 16 bytes long.
Data: < 8 > 20 09 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000238868099A0, 16 bytes long.
Data: < 8 > F8 08 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002388680A260, 16 bytes long.
Data: <Ð 8 > D0 08 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023886809E50, 16 bytes long.
Data: <¨ 8 > A8 08 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023886805E10, 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 0x000002388680A1C0, 16 bytes long.
Data: < 8 > 80 08 7F 86 38 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000238867F0880, 320 bytes long.
Data: <À¡ 8 ^ 8 > C0 A1 80 86 38 02 00 00 10 5E 80 86 38 02 00 00
{277} normal block at 0x0000023886809900, 16 bytes long.
Data: < ¨ 8 > 80 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023886809E00, 16 bytes long.
Data: <X¨ 8 > 58 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023886805A50, 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 0x0000023886809D60, 16 bytes long.
Data: <0¨ 8 > 30 A8 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023886805930, 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 0x00000238868098B0, 16 bytes long.
Data: <x§ 8 > 78 A7 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023886809680, 16 bytes long.
Data: <P§ 8 > 50 A7 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002388680A5D0, 16 bytes long.
Data: <(§ 8 > 28 A7 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002388680A080, 16 bytes long.
Data: < § 8 > 00 A7 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002388680A530, 16 bytes long.
Data: <ئ 8 > D8 A6 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002388680A4E0, 16 bytes long.
Data: <°¦ 8 > B0 A6 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023886809A40, 16 bytes long.
Data: < = 8 > A0 3D 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023886803DA0, 40 bytes long.
Data: <@ 8 x 8 > 40 9A 80 86 38 02 00 00 20 78 8D 88 38 02 00 00
{263} normal block at 0x000002388680A580, 16 bytes long.
Data: < ¦ 8 > 90 A6 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002388680A030, 16 bytes long.
Data: <h¦ 8 > 68 A6 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023886805630, 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 0x0000023886809B30, 16 bytes long.
Data: <@¦ 8 > 40 A6 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002388680A640, 992 bytes long.
Data: <0 8 0V 8 > 30 9B 80 86 38 02 00 00 30 56 80 86 38 02 00 00
{95} normal block at 0x0000023886805810, 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 0x00000238867FDDC0, 16 bytes long.
Data: <Ð? 8 > D0 3F 80 86 38 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000023886803FD0, 40 bytes long.
Data: <ÀÝ 8 X 8 > C0 DD 7F 86 38 02 00 00 10 58 80 86 38 02 00 00
{70} normal block at 0x00000238867FDF50, 16 bytes long.
Data: < ; > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000238867FDD70, 16 bytes long.
Data: <@ ; > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000238867FDD20, 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 0x00000238867FE360, 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 0x00000238867FE2C0, 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 0x00000238867FDA50, 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 0x00000238867FD6E0, 16 bytes long.
Data: < ; > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000238867FDAA0, 16 bytes long.
Data: < ; > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000238867FD870, 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 0x00000238867FD690, 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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