Task 38661007
| Name | test_1015-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4539_0 |
| Workunit | 31604461 |
| Created | 24 Oct 2026, 15:04:34 UTC |
| Sent | 24 Oct 2026, 15:12:34 UTC |
| Report deadline | 29 Oct 2026, 15:12:34 UTC |
| Received | 25 Oct 2026, 6:09:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653921 |
| Run time | 1 hours 17 min 17 sec |
| CPU time | 1 hours 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,101.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 676.54 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:31:56 (35216): wrapper (7.9.26016): starting
09:31:56 (35216): 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
09:31:59 (35216): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:31:59 (35216): 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\0\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\0\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
11:06:16 (35216): C:/Windows/system32/cmd.exe exited; CPU time 4637.031250
11:06:16 (35216): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 121523489 bytes.
Dumping objects ->
{3835177} normal block at 0x000001DD36A5AC80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000001DD36A5AB30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x000001DD36A5A4A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835144} normal block at 0x000001DD36A5AAC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000001DD36A5A900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835102} normal block at 0x000001DD384A0810, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x000001DD36A377F0, 8 bytes long.
Data: < B8Ý > 00 00 42 38 DD 01 00 00
{3833949} normal block at 0x000001DD36A37F70, 8 bytes long.
Data: <À¸W8Ý > C0 B8 57 38 DD 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001DD36A35940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DD36A36B00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001DD36A37D90, 16 bytes long.
Data: <Øn£6Ý > D8 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DD36A37B60, 16 bytes long.
Data: <°n£6Ý > B0 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DD36A2A020, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001DD36A378E0, 16 bytes long.
Data: < n£6Ý > 88 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DD36A337B0, 16 bytes long.
Data: <`n£6Ý > 60 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DD36A33760, 16 bytes long.
Data: <8n£6Ý > 38 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DD36A336C0, 16 bytes long.
Data: < n£6Ý > 10 6E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DD36A31740, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001DD36A334E0, 16 bytes long.
Data: < j£6Ý > 98 6A A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DD36A29BA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001DD36A33490, 16 bytes long.
Data: <pj£6Ý > 70 6A A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DD36A33440, 16 bytes long.
Data: <Hj£6Ý > 48 6A A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DD36A33260, 16 bytes long.
Data: < j£6Ý > 20 6A A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DD36A330D0, 16 bytes long.
Data: <øi£6Ý > F8 69 A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DD36A33DF0, 16 bytes long.
Data: <Ði£6Ý > D0 69 A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DD36A331C0, 16 bytes long.
Data: <¨i£6Ý > A8 69 A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DD36A29A20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001DD36A333F0, 16 bytes long.
Data: <€i£6Ý > 80 69 A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DD36A36980, 320 bytes long.
Data: <ð3£6Ý š¢6Ý > F0 33 A3 36 DD 01 00 00 20 9A A2 36 DD 01 00 00
{270} normal block at 0x000001DD36A33580, 16 bytes long.
Data: <ðm£6Ý > F0 6D A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DD36A332B0, 16 bytes long.
Data: <Èm£6Ý > C8 6D A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DD36A29D80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001DD36A33850, 16 bytes long.
Data: < m£6Ý > A0 6D A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DD36A299C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001DD36A33D00, 16 bytes long.
Data: <èl£6Ý > E8 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DD36A33C60, 16 bytes long.
Data: <Àl£6Ý > C0 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DD36A33C10, 16 bytes long.
Data: < l£6Ý > 98 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DD36A338A0, 16 bytes long.
Data: <pl£6Ý > 70 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DD36A33210, 16 bytes long.
Data: <Hl£6Ý > 48 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DD36A339E0, 16 bytes long.
Data: < l£6Ý > 20 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DD36A33940, 16 bytes long.
Data: <@ £6Ý > 40 1E A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DD36A31E40, 40 bytes long.
Data: <@9£6Ý J8Ý > 40 39 A3 36 DD 01 00 00 10 08 4A 38 DD 01 00 00
{256} normal block at 0x000001DD36A33170, 16 bytes long.
Data: < l£6Ý > 00 6C A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DD36A33A80, 16 bytes long.
Data: <Øk£6Ý > D8 6B A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001DD36A29960, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001DD36A33E40, 16 bytes long.
Data: <°k£6Ý > B0 6B A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001DD36A36BB0, 992 bytes long.
Data: <@>£6Ý ` ¢6Ý > 40 3E A3 36 DD 01 00 00 60 99 A2 36 DD 01 00 00
{88} normal block at 0x000001DD36A29D20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001DD36A33A30, 16 bytes long.
Data: <P £6Ý > 50 1A A3 36 DD 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001DD36A31A50, 40 bytes long.
Data: <0:£6Ý ¢6Ý > 30 3A A3 36 DD 01 00 00 20 9D A2 36 DD 01 00 00
{65} normal block at 0x000001DD36A33080, 16 bytes long.
Data: <€êÓ¨÷ > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DD36A33CB0, 16 bytes long.
Data: <@éÓ¨÷ > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DD36A335D0, 16 bytes long.
Data: <øWШ÷ > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DD36A33AD0, 16 bytes long.
Data: <ØWШ÷ > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DD36A27580, 16 bytes long.
Data: <P Ш÷ > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DD36A27530, 16 bytes long.
Data: <0 Ш÷ > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DD36A274E0, 16 bytes long.
Data: <à Ш÷ > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DD36A27620, 16 bytes long.
Data: < Ш÷ > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DD36A27490, 16 bytes long.
Data: <p Ш÷ > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001DD36A27440, 16 bytes long.
Data: < ÀΨ÷ > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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