Task 38682012
| Name | test_281-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4185_0 |
| Workunit | 31623651 |
| Created | 27 Oct 2026, 6:13:59 UTC |
| Sent | 27 Oct 2026, 6:14:21 UTC |
| Report deadline | 1 Nov 2026, 6:14:21 UTC |
| Received | 27 Oct 2026, 6:34:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650591 |
| Run time | 19 min 22 sec |
| CPU time | 18 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.46 MB |
| Peak swap size | 12.97 GB |
| Peak disk usage | 3.14 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:15:38 (4888): wrapper (7.9.26016): starting
07:15:38 (4888): 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
07:15:39 (4888): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:15:39 (4888): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
07:34:09 (4888): C:/Windows/system32/cmd.exe exited; CPU time 1088.593750
07:34:09 (4888): 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: 16998707 bytes.
Dumping objects ->
{3835187} normal block at 0x0000022669B86920, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835176} normal block at 0x000002266BA14F80, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835165} normal block at 0x000002266BA15520, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835154} normal block at 0x000002266BA14E00, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835143} normal block at 0x000002266BA14F20, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835112} normal block at 0x0000022669B868B0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x0000022669B7E300, 8 bytes long.
Data: < j& > 00 00 14 6A 26 02 00 00
{3833951} normal block at 0x0000022669B7D950, 8 bytes long.
Data: <P> k& > 50 3E A2 6B 26 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000022669B81F40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022669B763E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000022669B84F80, 16 bytes long.
Data: < f¸i& > 18 66 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022669B85980, 16 bytes long.
Data: <ðe¸i& > F0 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022669B7FE10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000022669B85E30, 16 bytes long.
Data: <Èe¸i& > C8 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022669B84F30, 16 bytes long.
Data: < e¸i& > A0 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022669B85930, 16 bytes long.
Data: <xe¸i& > 78 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022669B85660, 16 bytes long.
Data: <Pe¸i& > 50 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022669B86DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000022669B84FD0, 16 bytes long.
Data: <xò¶i& > 78 F2 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022669B80050, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000022669B853E0, 16 bytes long.
Data: <Pò¶i& > 50 F2 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022669B85D40, 16 bytes long.
Data: <(ò¶i& > 28 F2 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022669B85A20, 16 bytes long.
Data: < ò¶i& > 00 F2 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022669B85610, 16 bytes long.
Data: <Øñ¶i& > D8 F1 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022669B85DE0, 16 bytes long.
Data: <°ñ¶i& > B0 F1 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022669B85BB0, 16 bytes long.
Data: < ñ¶i& > 88 F1 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022669B7FF90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000022669B85E80, 16 bytes long.
Data: <`ñ¶i& > 60 F1 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022669B6F160, 320 bytes long.
Data: < ^¸i& ·i& > 80 5E B8 69 26 02 00 00 90 FF B7 69 26 02 00 00
{271} normal block at 0x0000022669B85430, 16 bytes long.
Data: <0e¸i& > 30 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022669B85890, 16 bytes long.
Data: < e¸i& > 08 65 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022669B7FF30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000022669B85160, 16 bytes long.
Data: <àd¸i& > E0 64 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022669B7FB70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000022669B85B60, 16 bytes long.
Data: <(d¸i& > 28 64 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022669B857F0, 16 bytes long.
Data: < d¸i& > 00 64 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022669B85B10, 16 bytes long.
Data: <Øc¸i& > D8 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022669B85570, 16 bytes long.
Data: <°c¸i& > B0 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022669B85CA0, 16 bytes long.
Data: < c¸i& > 88 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022669B855C0, 16 bytes long.
Data: <`c¸i& > 60 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022669B85110, 16 bytes long.
Data: <ÐŶi& > D0 C5 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022669B6C5D0, 40 bytes long.
Data: < Q¸i& °h¸i& > 10 51 B8 69 26 02 00 00 B0 68 B8 69 26 02 00 00
{257} normal block at 0x0000022669B857A0, 16 bytes long.
Data: <@c¸i& > 40 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022669B859D0, 16 bytes long.
Data: < c¸i& > 18 63 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022669B7F7B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000022669B85840, 16 bytes long.
Data: <ðb¸i& > F0 62 B8 69 26 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000022669B862F0, 992 bytes long.
Data: <@X¸i& °÷·i& > 40 58 B8 69 26 02 00 00 B0 F7 B7 69 26 02 00 00
{89} normal block at 0x0000022669B7FED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000022669B7DE50, 16 bytes long.
Data: < ׶i& > 20 D7 B6 69 26 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000022669B6D720, 40 bytes long.
Data: <PÞ·i& Ðþ·i& > 50 DE B7 69 26 02 00 00 D0 FE B7 69 26 02 00 00
{66} normal block at 0x0000022669B7DCC0, 16 bytes long.
Data: < êO ö > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022669B7E440, 16 bytes long.
Data: <@éO ö > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022669B7DFE0, 16 bytes long.
Data: <øWL ö > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022669B7E3F0, 16 bytes long.
Data: <ØWL ö > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022669B7E670, 16 bytes long.
Data: <P L ö > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022669B7DA90, 16 bytes long.
Data: <0 L ö > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022669B7D810, 16 bytes long.
Data: <à L ö > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022669B7D770, 16 bytes long.
Data: < L ö > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022669B7DF40, 16 bytes long.
Data: <p L ö > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022669B7E2B0, 16 bytes long.
Data: < ÀJ ö > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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