Task 38659235
| Name | test_1315-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7722_0 |
| Workunit | 31602787 |
| Created | 24 Oct 2026, 13:20:06 UTC |
| Sent | 24 Oct 2026, 14:52:35 UTC |
| Report deadline | 29 Oct 2026, 14:52:35 UTC |
| Received | 24 Oct 2026, 15:16:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643341 |
| Run time | 18 min 2 sec |
| CPU time | 16 min 15 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.18 MB |
| Peak swap size | 9.94 GB |
| Peak disk usage | 3.86 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:59:21 (34524): wrapper (7.9.26016): starting
16:59:21 (34524): 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
16:59:22 (34524): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:59:22 (34524): 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:\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 'D:\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
17:16:02 (34524): C:/Windows/system32/cmd.exe exited; CPU time 975.984375
17:16:02 (34524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 20594773 bytes.
Dumping objects ->
{3835203} normal block at 0x000001EFBB136070, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835192} normal block at 0x000001EFBD381650, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835181} normal block at 0x000001EFBD3815F0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835170} normal block at 0x000001EFBD380C90, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835159} normal block at 0x000001EFBD381410, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835128} normal block at 0x000001EFBB135B30, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001EFBB12CE90, 8 bytes long.
Data: < öºï > 00 00 F6 BA EF 01 00 00
{3833961} normal block at 0x000001EFBB12C9E0, 8 bytes long.
Data: < 59½ï > 00 35 39 BD EF 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EFBB125AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EFBB12F580, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001EFBB134D80, 16 bytes long.
Data: <xY ȕ > 78 59 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EFBB134920, 16 bytes long.
Data: <PY ȕ > 50 59 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EFBB12FDB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001EFBB134EC0, 16 bytes long.
Data: <(Y ȕ > 28 59 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EFBB134DD0, 16 bytes long.
Data: < Y ȕ > 00 59 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EFBB134C90, 16 bytes long.
Data: <ØX »ï > D8 58 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EFBB134880, 16 bytes long.
Data: <°X »ï > B0 58 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFBB135DD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001EFBB134C40, 16 bytes long.
Data: <8ð »ï > 38 F0 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EFBB12FB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001EFBB1351E0, 16 bytes long.
Data: < ð »ï > 10 F0 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EFBB135190, 16 bytes long.
Data: <èï »ï > E8 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EFBB134470, 16 bytes long.
Data: <˕ ȕ > C0 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EFBB134A60, 16 bytes long.
Data: < ï »ï > 98 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EFBB134B00, 16 bytes long.
Data: <pï »ï > 70 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EFBB134970, 16 bytes long.
Data: <Hï »ï > 48 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFBB12F930, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001EFBB134BF0, 16 bytes long.
Data: < ï »ï > 20 EF 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EFBB11EF20, 320 bytes long.
Data: <ðK »ï 0ù »ï > F0 4B 13 BB EF 01 00 00 30 F9 12 BB EF 01 00 00
{276} normal block at 0x000001EFBB134A10, 16 bytes long.
Data: < X ȕ > 90 58 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EFBB1342E0, 16 bytes long.
Data: <hX ȕ > 68 58 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFBB130470, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001EFBB1345B0, 16 bytes long.
Data: <@X ȕ > 40 58 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EFBB12F870, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001EFBB1349C0, 16 bytes long.
Data: < W ȕ > 88 57 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EFBB134D30, 16 bytes long.
Data: <`W ȕ > 60 57 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFBB134790, 16 bytes long.
Data: <8W ȕ > 38 57 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EFBB1344C0, 16 bytes long.
Data: < W ȕ > 10 57 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EFBB134290, 16 bytes long.
Data: <èV »ï > E8 56 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EFBB134E20, 16 bytes long.
Data: <ÀV »ï > C0 56 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EFBB134F60, 16 bytes long.
Data: <pã »ï > 70 E3 12 BB EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFBB12E370, 40 bytes long.
Data: <`O ȕ 0[ ȕ > 60 4F 13 BB EF 01 00 00 30 5B 13 BB EF 01 00 00
{262} normal block at 0x000001EFBB134BA0, 16 bytes long.
Data: < V »ï > A0 56 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EFBB134560, 16 bytes long.
Data: <xV ȕ > 78 56 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EFBB12FCF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001EFBB1348D0, 16 bytes long.
Data: <PV ȕ > 50 56 13 BB EF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EFBB135650, 992 bytes long.
Data: <ÐH »ï ðü »ï > D0 48 13 BB EF 01 00 00 F0 FC 12 BB EF 01 00 00
{94} normal block at 0x000001EFBB12F990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001EFBB12C940, 16 bytes long.
Data: <Ðó »ï > D0 F3 11 BB EF 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001EFBB11F3D0, 40 bytes long.
Data: <@É »ï ù »ï > 40 C9 12 BB EF 01 00 00 90 F9 12 BB EF 01 00 00
{71} normal block at 0x000001EFBB12D430, 16 bytes long.
Data: < êÏ×ö > 80 EA CF D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EFBB12CDF0, 16 bytes long.
Data: <@éÏ×ö > 40 E9 CF D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EFBB12C990, 16 bytes long.
Data: <øWÌ×ö > F8 57 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EFBB12CA80, 16 bytes long.
Data: <ØWÌ×ö > D8 57 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EFBB12D480, 16 bytes long.
Data: <P Ì×ö > 50 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EFBB12D6B0, 16 bytes long.
Data: <0 Ì×ö > 30 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EFBB12C8A0, 16 bytes long.
Data: <à Ì×ö > E0 02 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EFBB12D020, 16 bytes long.
Data: < Ì×ö > 10 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EFBB12D700, 16 bytes long.
Data: <p Ì×ö > 70 04 CC D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EFBB12D660, 16 bytes long.
Data: < ÀÊ×ö > 18 C0 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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