Task 38681530
| Name | test_397-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3663_0 |
| Workunit | 31623192 |
| Created | 27 Oct 2026, 4:21:57 UTC |
| Sent | 27 Oct 2026, 4:22:02 UTC |
| Report deadline | 1 Nov 2026, 4:22:02 UTC |
| Received | 27 Oct 2026, 6:53:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583368 |
| Run time | 40 min 25 sec |
| CPU time | 38 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.98 MB |
| Peak swap size | 9.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:13:19 (34232): wrapper (7.9.26016): starting
07:13:19 (34232): 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
07:13:20 (34232): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:13:20 (34232): 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 'D:\ProgramData\BOINC\slots\12\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 'D:\ProgramData\BOINC\slots\12\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: 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
07:52:18 (34232): C:/Windows/system32/cmd.exe exited; CPU time 2301.062500
07:52:18 (34232): 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: 43577069 bytes.
Dumping objects ->
{3835207} normal block at 0x0000015423C14DE0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x0000015423C14D00, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000015423C14C90, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x0000015423C14C20, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x0000015423C147C0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x0000015425A88C80, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x0000015425A9F200, 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) : {3835118} normal block at 0x0000015423C0F120, 8 bytes long.
Data: < *$T > 00 00 2A 24 54 01 00 00
{3834522} normal block at 0x0000015425A9EA70, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000015423C0EC70, 8 bytes long.
Data: <ÀÝ©%T > C0 DD A9 25 54 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000015423C10600, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015423C06270, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000015423C15540, 16 bytes long.
Data: <HfÁ#T > 48 66 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000015423C15D10, 16 bytes long.
Data: < fÁ#T > 20 66 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015423C0FCB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000015423C15720, 16 bytes long.
Data: <øeÁ#T > F8 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015423C15C20, 16 bytes long.
Data: <ÐeÁ#T > D0 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015423C15C70, 16 bytes long.
Data: <¨eÁ#T > A8 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015423C16210, 16 bytes long.
Data: < eÁ#T > 80 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015423C14BB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000015423C15CC0, 16 bytes long.
Data: < í¿#T > 98 ED BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015423C0F6B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000015423C161C0, 16 bytes long.
Data: <pí¿#T > 70 ED BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015423C15BD0, 16 bytes long.
Data: <Hí¿#T > 48 ED BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000015423C15680, 16 bytes long.
Data: < í¿#T > 20 ED BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015423C155E0, 16 bytes long.
Data: <øì¿#T > F8 EC BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000015423C15590, 16 bytes long.
Data: <Ðì¿#T > D0 EC BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015423C16170, 16 bytes long.
Data: <¨ì¿#T > A8 EC BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015423C100D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000015423C15770, 16 bytes long.
Data: < ì¿#T > 80 EC BF 23 54 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015423BFEC80, 320 bytes long.
Data: <pWÁ#T Ð Á#T > 70 57 C1 23 54 01 00 00 D0 00 C1 23 54 01 00 00
{269} normal block at 0x0000015423C159F0, 16 bytes long.
Data: <`eÁ#T > 60 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000015423C156D0, 16 bytes long.
Data: <8eÁ#T > 38 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015423C102B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000015423C153B0, 16 bytes long.
Data: < eÁ#T > 10 65 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000015423C10310, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000015423C160D0, 16 bytes long.
Data: <XdÁ#T > 58 64 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015423C154F0, 16 bytes long.
Data: <0dÁ#T > 30 64 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000015423C15EF0, 16 bytes long.
Data: < dÁ#T > 08 64 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015423C15360, 16 bytes long.
Data: <àcÁ#T > E0 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000015423C16260, 16 bytes long.
Data: <¸cÁ#T > B8 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000015423C162B0, 16 bytes long.
Data: < cÁ#T > 90 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000015423C15E50, 16 bytes long.
Data: < HÁ#T > A0 48 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000015423C148A0, 40 bytes long.
Data: <P^Á#T Œ¨%T > 50 5E C1 23 54 01 00 00 80 8C A8 25 54 01 00 00
{255} normal block at 0x0000015423C15B80, 16 bytes long.
Data: <pcÁ#T > 70 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000015423C16120, 16 bytes long.
Data: <HcÁ#T > 48 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000015423C0F650, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000015423C154A0, 16 bytes long.
Data: < cÁ#T > 20 63 C1 23 54 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000015423C16320, 992 bytes long.
Data: < TÁ#T PöÀ#T > A0 54 C1 23 54 01 00 00 50 F6 C0 23 54 01 00 00
{87} normal block at 0x0000015423C0FFB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000015423C0F210, 16 bytes long.
Data: < äÀ#T > 80 E4 C0 23 54 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000015423C0E480, 40 bytes long.
Data: < òÀ#T °ÿÀ#T > 10 F2 C0 23 54 01 00 00 B0 FF C0 23 54 01 00 00
{64} normal block at 0x0000015423C0F350, 16 bytes long.
Data: < ên9÷ > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000015423C0F300, 16 bytes long.
Data: <@én9÷ > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000015423C0F080, 16 bytes long.
Data: <øWk9÷ > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000015423C0EAE0, 16 bytes long.
Data: <ØWk9÷ > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000015423C0F490, 16 bytes long.
Data: <P k9÷ > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000015423C0EFE0, 16 bytes long.
Data: <0 k9÷ > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000015423C0E9F0, 16 bytes long.
Data: <à k9÷ > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000015423C0EF90, 16 bytes long.
Data: < k9÷ > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000015423C0F030, 16 bytes long.
Data: <p k9÷ > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000015423C0F0D0, 16 bytes long.
Data: < Ài9÷ > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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