Task 38680832
| Name | test_236-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2740_0 |
| Workunit | 31622532 |
| Created | 27 Oct 2026, 1:45:59 UTC |
| Sent | 27 Oct 2026, 1:46:04 UTC |
| Report deadline | 1 Nov 2026, 1:46:04 UTC |
| Received | 27 Oct 2026, 3:49:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605313 |
| Run time | 24 min 26 sec |
| CPU time | 22 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.72 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:30:55 (19392): wrapper (7.9.26016): starting
22:30:55 (19392): 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
22:30:56 (19392): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:30:56 (19392): 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
22:54:29 (19392): C:/Windows/system32/cmd.exe exited; CPU time 1337.359375
22:54:29 (19392): 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: 28628429 bytes.
Dumping objects ->
{3835221} normal block at 0x0000022A520BC360, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x0000022A520BC1A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x0000022A520BBF70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x0000022A520BB9C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x0000022A520BB720, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x0000022A53F1CF90, 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) : {3835133} normal block at 0x0000022A5208D0C0, 8 bytes long.
Data: < ]R* > 00 00 5D 52 2A 02 00 00
{3833975} normal block at 0x0000022A5208D4D0, 8 bytes long.
Data: <`çâS* > 60 E7 E2 53 2A 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000022A52095010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000022A52089210, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000022A52098ED0, 16 bytes long.
Data: <¸’ R* > B8 92 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000022A52098930, 16 bytes long.
Data: < ’ R* > 90 92 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022A52091440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000022A52098E80, 16 bytes long.
Data: <h’ R* > 68 92 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022A52098480, 16 bytes long.
Data: <@’ R* > 40 92 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022A52098110, 16 bytes long.
Data: < ’ R* > 18 92 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000022A520987F0, 16 bytes long.
Data: <ð‘ R* > F0 91 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022A52092250, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000022A52098C50, 16 bytes long.
Data: <¸ R* > B8 19 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022A52090F60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000022A52098430, 16 bytes long.
Data: < R* > 90 19 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022A52098E30, 16 bytes long.
Data: <h R* > 68 19 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022A52098B60, 16 bytes long.
Data: <@ R* > 40 19 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022A52098B10, 16 bytes long.
Data: < R* > 18 19 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022A52098660, 16 bytes long.
Data: <ð R* > F0 18 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022A52098D90, 16 bytes long.
Data: <È R* > C8 18 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022A52091560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000022A520983E0, 16 bytes long.
Data: <  R* > A0 18 08 52 2A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022A520818A0, 320 bytes long.
Data: <àƒ R* ` R* > E0 83 09 52 2A 02 00 00 60 15 09 52 2A 02 00 00
{283} normal block at 0x0000022A52098340, 16 bytes long.
Data: <Б R* > D0 91 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022A52098520, 16 bytes long.
Data: <¨‘ R* > A8 91 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022A52090CC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000022A52098DE0, 16 bytes long.
Data: < ‘ R* > 80 91 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022A52091A40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000022A52098AC0, 16 bytes long.
Data: <È R* > C8 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022A520989D0, 16 bytes long.
Data: <  R* > A0 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022A52098070, 16 bytes long.
Data: <x R* > 78 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022A520985C0, 16 bytes long.
Data: <P R* > 50 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022A52098200, 16 bytes long.
Data: <( R* > 28 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022A52098CF0, 16 bytes long.
Data: < R* > 00 90 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022A520982F0, 16 bytes long.
Data: < ! R* > 00 21 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022A52092100, 40 bytes long.
Data: <ð‚ R* ÏñS* > F0 82 09 52 2A 02 00 00 90 CF F1 53 2A 02 00 00
{269} normal block at 0x0000022A520982A0, 16 bytes long.
Data: <à R* > E0 8F 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022A520981B0, 16 bytes long.
Data: <¸ R* > B8 8F 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022A52090FC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000022A52098610, 16 bytes long.
Data: < R* > 90 8F 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022A52098F90, 992 bytes long.
Data: < † R* À R* > 10 86 09 52 2A 02 00 00 C0 0F 09 52 2A 02 00 00
{101} normal block at 0x0000022A52090D80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000022A5208D480, 16 bytes long.
Data: <À R* > C0 1B 09 52 2A 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000022A52091BC0, 40 bytes long.
Data: < Ô R* R* > 80 D4 08 52 2A 02 00 00 80 0D 09 52 2A 02 00 00
{78} normal block at 0x0000022A5208D430, 16 bytes long.
Data: < ê²ó÷ > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000022A5208D3E0, 16 bytes long.
Data: <@é²ó÷ > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000022A5208D980, 16 bytes long.
Data: <øW¯ó÷ > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000022A5208D1B0, 16 bytes long.
Data: <ØW¯ó÷ > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022A5208D070, 16 bytes long.
Data: <P ¯ó÷ > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022A5208D250, 16 bytes long.
Data: <0 ¯ó÷ > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022A5208D610, 16 bytes long.
Data: <à ¯ó÷ > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022A5208D020, 16 bytes long.
Data: < ¯ó÷ > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022A5208D160, 16 bytes long.
Data: <p ¯ó÷ > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022A5208DA70, 16 bytes long.
Data: < À­ó÷ > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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