Task 38661734
| Name | test_785-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND9740_0 |
| Workunit | 31605123 |
| Created | 24 Oct 2026, 16:13:15 UTC |
| Sent | 24 Oct 2026, 16:21:01 UTC |
| Report deadline | 29 Oct 2026, 16:21:01 UTC |
| Received | 24 Oct 2026, 19:15:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640711 |
| Run time | 57 min 49 sec |
| CPU time | 57 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,852.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.64 MB |
| Peak swap size | 6.71 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:24:55 (3272): wrapper (7.9.26016): starting
12:24:55 (3272): 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
12:24:56 (3272): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:56 (3272): 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\16\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\16\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
13:28:49 (3272): C:/Windows/system32/cmd.exe exited; CPU time 3469.718750
13:28:49 (3272): 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: 37980651 bytes.
Dumping objects ->
{3835305} normal block at 0x000001F89453DA10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x000001F89453DD90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x000001F89453E260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835272} normal block at 0x000001F8928754F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835261} normal block at 0x000001F892874FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835230} normal block at 0x000001F894587530, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001F89459F710, 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) : {3835216} normal block at 0x000001F89286D9A0, 8 bytes long.
Data: < ,”ø > 00 00 2C 94 F8 01 00 00
{3834584} normal block at 0x000001F89459F920, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833973} normal block at 0x000001F89286E440, 8 bytes long.
Data: <ðæY”ø > F0 E6 59 94 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001F892871490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001F892866A60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001F892875EF0, 16 bytes long.
Data: <Èm‡’ø > C8 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F892875AE0, 16 bytes long.
Data: < m‡’ø > A0 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001F89286FD40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001F8928760D0, 16 bytes long.
Data: <xm‡’ø > 78 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F892876170, 16 bytes long.
Data: <Pm‡’ø > 50 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F892876A30, 16 bytes long.
Data: <(m‡’ø > 28 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F8928765D0, 16 bytes long.
Data: < m‡’ø > 00 6D 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F892875560, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001F892875D60, 16 bytes long.
Data: <¨ñ†’ø > A8 F1 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F892870100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001F892875EA0, 16 bytes long.
Data: < ñ†’ø > 80 F1 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F892875C70, 16 bytes long.
Data: <Xñ†’ø > 58 F1 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F892876580, 16 bytes long.
Data: <0ñ†’ø > 30 F1 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F8928768F0, 16 bytes long.
Data: < ñ†’ø > 08 F1 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F892876440, 16 bytes long.
Data: <àð†’ø > E0 F0 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F892876030, 16 bytes long.
Data: <¸ð†’ø > B8 F0 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F892870160, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001F892876760, 16 bytes long.
Data: < ð†’ø > 90 F0 86 92 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F89286F090, 320 bytes long.
Data: <`g‡’ø ` ‡’ø > 60 67 87 92 F8 01 00 00 60 01 87 92 F8 01 00 00
{282} normal block at 0x000001F892875CC0, 16 bytes long.
Data: <àl‡’ø > E0 6C 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F892876300, 16 bytes long.
Data: <¸l‡’ø > B8 6C 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F89286F7A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001F8928766C0, 16 bytes long.
Data: < l‡’ø > 90 6C 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F89286FE00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001F892876670, 16 bytes long.
Data: <Øk‡’ø > D8 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F8928761C0, 16 bytes long.
Data: <°k‡’ø > B0 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F892876080, 16 bytes long.
Data: < k‡’ø > 88 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F892875D10, 16 bytes long.
Data: <`k‡’ø > 60 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F892875FE0, 16 bytes long.
Data: <8k‡’ø > 38 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8928769E0, 16 bytes long.
Data: < k‡’ø > 10 6B 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F892876530, 16 bytes long.
Data: <0S‡’ø > 30 53 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F892875330, 40 bytes long.
Data: <0e‡’ø 0uX”ø > 30 65 87 92 F8 01 00 00 30 75 58 94 F8 01 00 00
{268} normal block at 0x000001F892875F90, 16 bytes long.
Data: <ðj‡’ø > F0 6A 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F892875F40, 16 bytes long.
Data: <Èj‡’ø > C8 6A 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F89286FF20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001F8928767B0, 16 bytes long.
Data: < j‡’ø > A0 6A 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F892876AA0, 992 bytes long.
Data: <°g‡’ø ÿ†’ø > B0 67 87 92 F8 01 00 00 20 FF 86 92 F8 01 00 00
{100} normal block at 0x000001F892870040, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001F89286D9F0, 16 bytes long.
Data: < Q‡’ø > 00 51 87 92 F8 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001F892875100, 40 bytes long.
Data: <ðÙ†’ø @ ‡’ø > F0 D9 86 92 F8 01 00 00 40 00 87 92 F8 01 00 00
{77} normal block at 0x000001F89286DD60, 16 bytes long.
Data: < êï‘÷ > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001F89286DAE0, 16 bytes long.
Data: <@éï‘÷ > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001F89286D8B0, 16 bytes long.
Data: <øWì‘÷ > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F89286E4E0, 16 bytes long.
Data: <ØWì‘÷ > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F89286E1C0, 16 bytes long.
Data: <P ì‘÷ > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F89286D860, 16 bytes long.
Data: <0 ì‘÷ > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F89286DA90, 16 bytes long.
Data: <à ì‘÷ > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F89286DA40, 16 bytes long.
Data: < ì‘÷ > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F89286E5D0, 16 bytes long.
Data: <p ì‘÷ > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F89286DC70, 16 bytes long.
Data: < Àê‘÷ > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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