Task 38694794
| Name | test_490-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0183_0 |
| Workunit | 31635524 |
| Created | 31 Oct 2026, 2:17:50 UTC |
| Sent | 31 Oct 2026, 2:17:54 UTC |
| Report deadline | 5 Nov 2026, 2:17:54 UTC |
| Received | 31 Oct 2026, 3:42:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630817 |
| Run time | 48 min 12 sec |
| CPU time | 43 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.11 MB |
| Peak swap size | 24.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:56:41 (15384): wrapper (7.9.26016): starting
02:56:41 (15384): 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
02:56:44 (15384): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:56:44 (15384): 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\68\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\68\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 2026-10-31 05:12:49 is 8134.101076 s in the future
tar: r1/checkpoint.xml: time stamp 2026-10-31 05:12:50 is 8134.3795784 s in the future
tar: r10/checkpoint.xml: time stamp 2026-10-31 05:13:00 is 8143.4250653 s in the future
tar: r11/checkpoint.xml: time stamp 2026-10-31 05:13:01 is 8143.2705809 s in the future
tar: r12/checkpoint.xml: time stamp 2026-10-31 05:13:02 is 8142.3189966 s in the future
tar: r13/checkpoint.xml: time stamp 2026-10-31 05:13:03 is 8142.528792 s in the future
tar: r14/checkpoint.xml: time stamp 2026-10-31 05:13:04 is 8142.6973047 s in the future
tar: r15/checkpoint.xml: time stamp 2026-10-31 05:13:05 is 8142.9597616 s in the future
tar: r16/checkpoint.xml: time stamp 2026-10-31 05:13:07 is 8144.241595 s in the future
tar: r17/checkpoint.xml: time stamp 2026-10-31 05:13:07 is 8143.526943 s in the future
tar: r18/checkpoint.xml: time stamp 2026-10-31 05:13:08 is 8143.7717902 s in the future
tar: r19/checkpoint.xml: time stamp 2026-10-31 05:13:09 is 8144.0137795 s in the future
tar: r2/checkpoint.xml: time stamp 2026-10-31 05:12:52 is 8126.2513195 s in the future
tar: r20/checkpoint.xml: time stamp 2026-10-31 05:13:10 is 8143.4720786 s in the future
tar: r21/checkpoint.xml: time stamp 2026-10-31 05:13:12 is 8144.6504633 s in the future
tar: r3/checkpoint.xml: time stamp 2026-10-31 05:12:53 is 8124.7589009 s in the future
tar: r4/checkpoint.xml: time stamp 2026-10-31 05:12:54 is 8124.860438 s in the future
tar: r5/checkpoint.xml: time stamp 2026-10-31 05:12:54 is 8124.1467379 s in the future
tar: r6/checkpoint.xml: time stamp 2026-10-31 05:12:56 is 8125.3619413 s in the future
tar: r7/checkpoint.xml: time stamp 2026-10-31 05:12:57 is 8125.6546118 s in the future
tar: r8/checkpoint.xml: time stamp 2026-10-31 05:12:58 is 8125.7260838 s in the future
tar: r9/checkpoint.xml: time stamp 2026-10-31 05:12:59 is 8126.0461987 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
03:41:41 (15384): C:/Windows/system32/cmd.exe exited; CPU time 2619.875000
03:41:41 (15384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 59535605 bytes.
Dumping objects ->
{3835233} normal block at 0x000001CA912E0990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835222} normal block at 0x000001CA912E1020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001CA912E1250, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835200} normal block at 0x000001CA912E0E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001CA912E0D10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835158} normal block at 0x000001CA9138C4B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x000001CA91431F50, 180 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) : {3835144} normal block at 0x000001CA8F6468E0, 8 bytes long.
Data: < ^Ê > 00 00 5E 8F CA 01 00 00
{3834543} normal block at 0x000001CA914324F0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x000001CA8F646890, 8 bytes long.
Data: <@?.‘Ê > 40 3F 2E 91 CA 01 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001CA8F6510F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CA8F64C4F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000001CA8F652AE0, 16 bytes long.
Data: <8GeÊ > 38 47 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CA8F6522C0, 16 bytes long.
Data: < GeÊ > 10 47 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CA8F64CEA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000001CA8F652720, 16 bytes long.
Data: <èFeÊ > E8 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CA8F652E50, 16 bytes long.
Data: <ÀFeÊ > C0 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CA8F652CC0, 16 bytes long.
Data: < FeÊ > 98 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CA8F652BD0, 16 bytes long.
Data: <pFeÊ > 70 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CA8F64B9F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000001CA8F652F40, 16 bytes long.
Data: <Ø«cÊ > D8 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CA8F64CDE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000001CA8F652810, 16 bytes long.
Data: <°«cÊ > B0 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CA8F652A90, 16 bytes long.
Data: < «cÊ > 88 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CA8F652A40, 16 bytes long.
Data: <`«cÊ > 60 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CA8F652130, 16 bytes long.
Data: <8«cÊ > 38 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CA8F652B30, 16 bytes long.
Data: < «cÊ > 10 AB 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CA8F6529A0, 16 bytes long.
Data: <èªcÊ > E8 AA 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CA8F64C600, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x000001CA8F6524A0, 16 bytes long.
Data: <ÀªcÊ > C0 AA 63 8F CA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CA8F63AAC0, 320 bytes long.
Data: < $eÊ ÆdÊ > A0 24 65 8F CA 01 00 00 00 C6 64 8F CA 01 00 00
{267} normal block at 0x000001CA8F652310, 16 bytes long.
Data: <PFeÊ > 50 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CA8F652180, 16 bytes long.
Data: <(FeÊ > 28 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CA8F64C9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000001CA8F652DB0, 16 bytes long.
Data: < FeÊ > 00 46 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CA8F64C960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000001CA8F6528B0, 16 bytes long.
Data: <HEeÊ > 48 45 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CA8F6529F0, 16 bytes long.
Data: < EeÊ > 20 45 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CA8F6524F0, 16 bytes long.
Data: <øDeÊ > F8 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CA8F652090, 16 bytes long.
Data: <ÐDeÊ > D0 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CA8F652950, 16 bytes long.
Data: <¨DeÊ > A8 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CA8F652900, 16 bytes long.
Data: <€DeÊ > 80 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CA8F652C20, 16 bytes long.
Data: <`³dÊ > 60 B3 64 8F CA 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CA8F64B360, 40 bytes long.
Data: < ,eÊ °Ä8‘Ê > 20 2C 65 8F CA 01 00 00 B0 C4 38 91 CA 01 00 00
{253} normal block at 0x000001CA8F652C70, 16 bytes long.
Data: <`DeÊ > 60 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001CA8F652400, 16 bytes long.
Data: <8DeÊ > 38 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001CA8F64D0E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000001CA8F652540, 16 bytes long.
Data: < DeÊ > 10 44 65 8F CA 01 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000001CA8F654410, 992 bytes long.
Data: <@%eÊ àÐdÊ > 40 25 65 8F CA 01 00 00 E0 D0 64 8F CA 01 00 00
{85} normal block at 0x000001CA8F64CBA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000001CA8F6473D0, 16 bytes long.
Data: <°´dÊ > B0 B4 64 8F CA 01 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001CA8F64B4B0, 40 bytes long.
Data: <ÐsdÊ  ËdÊ > D0 73 64 8F CA 01 00 00 A0 CB 64 8F CA 01 00 00
{62} normal block at 0x000001CA8F646C00, 16 bytes long.
Data: <€ê +ö > 80 EA 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CA8F646CA0, 16 bytes long.
Data: <@é +ö > 40 E9 20 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CA8F6466B0, 16 bytes long.
Data: <øW +ö > F8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CA8F6475B0, 16 bytes long.
Data: <ØW +ö > D8 57 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CA8F647290, 16 bytes long.
Data: <P +ö > 50 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001CA8F647240, 16 bytes long.
Data: <0 +ö > 30 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001CA8F6471F0, 16 bytes long.
Data: <à +ö > E0 02 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001CA8F646660, 16 bytes long.
Data: < +ö > 10 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001CA8F6467A0, 16 bytes long.
Data: <p +ö > 70 04 1D 2B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001CA8F647560, 16 bytes long.
Data: < À +ö > 18 C0 1B 2B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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