Task 38646960
| Name | test_217-GPUGRID_TEST_ATM_500_20261023-0-1-RND9851_1 |
| Workunit | 31590554 |
| Created | 23 Oct 2026, 17:33:27 UTC |
| Sent | 23 Oct 2026, 18:23:44 UTC |
| Report deadline | 28 Oct 2026, 18:23:44 UTC |
| Received | 23 Oct 2026, 18:41:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 17 min 35 sec |
| CPU time | 16 min 40 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.22 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:46 (28780): wrapper (7.9.26016): starting
14:24:46 (28780): 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
14:24:47 (28780): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:24:47 (28780): 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:\BoincData\slots\21\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:\BoincData\slots\21\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
14:41:29 (28780): C:/Windows/system32/cmd.exe exited; CPU time 1000.656250
14:41:29 (28780): 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: 21038463 bytes.
Dumping objects ->
{3835574} normal block at 0x000002D896961330, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x000002D896AAAE90, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x000002D896AAAC50, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x000002D896AAAEF0, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x000002D896AAA650, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x000002D8969615D0, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000002D894C6F410, 8 bytes long.
Data: < m–Ø > 00 00 6D 96 D8 02 00 00
{3833957} normal block at 0x000002D894C6F870, 8 bytes long.
Data: <°È®–Ø > B0 C8 AE 96 D8 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002D894C71A50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D894C69AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002D894C7CBC0, 16 bytes long.
Data: <XÞÇ”Ø > 58 DE C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D894C7CF80, 16 bytes long.
Data: <0ÞÇ”Ø > 30 DE C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D894C7A120, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002D894C7D570, 16 bytes long.
Data: < ÞÇ”Ø > 08 DE C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D894C7CB70, 16 bytes long.
Data: <àÝÇ”Ø > E0 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D894C7D1B0, 16 bytes long.
Data: <¸ÝÇ”Ø > B8 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D894C7D4D0, 16 bytes long.
Data: < ÝÇ”Ø > 90 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D894C77170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002D894C7DA70, 16 bytes long.
Data: <xܮӯ > 78 8B C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D894C79760, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002D894C7D480, 16 bytes long.
Data: <Pܮӯ > 50 8B C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D894C7CEE0, 16 bytes long.
Data: <(ܮӯ > 28 8B C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D894C7CE90, 16 bytes long.
Data: < ܮӯ > 00 8B C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D894C7D980, 16 bytes long.
Data: <ØŠÆ”Ø > D8 8A C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D894C7D7F0, 16 bytes long.
Data: <°ŠÆ”Ø > B0 8A C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D894C7D250, 16 bytes long.
Data: < ŠÆ”Ø > 88 8A C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D894C79FA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002D894C7D9D0, 16 bytes long.
Data: <`ŠÆ”Ø > 60 8A C6 94 D8 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D894C68A60, 320 bytes long.
Data: <ÐÙÇ”Ø  ŸÇ”Ø > D0 D9 C7 94 D8 02 00 00 A0 9F C7 94 D8 02 00 00
{274} normal block at 0x000002D894C7DAC0, 16 bytes long.
Data: <pÝÇ”Ø > 70 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D894C7D0C0, 16 bytes long.
Data: <HÝÇ”Ø > 48 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D894C793A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002D894C7CE40, 16 bytes long.
Data: < ÝÇ”Ø > 20 DD C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D894C79880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002D894C7D520, 16 bytes long.
Data: <hÜÇ”Ø > 68 DC C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D894C7CD00, 16 bytes long.
Data: <@ÜÇ”Ø > 40 DC C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D894C7CD50, 16 bytes long.
Data: < ÜÇ”Ø > 18 DC C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D894C7D160, 16 bytes long.
Data: <ðÛÇ”Ø > F0 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D894C7D660, 16 bytes long.
Data: <ÈÛÇ”Ø > C8 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D894C7D610, 16 bytes long.
Data: < ÛÇ”Ø > A0 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D894C7D7A0, 16 bytes long.
Data: <PkÇ”Ø > 50 6B C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D894C76B50, 40 bytes long.
Data: < ×Ç”Ø Ð ––Ø > A0 D7 C7 94 D8 02 00 00 D0 15 96 96 D8 02 00 00
{260} normal block at 0x000002D894C7D430, 16 bytes long.
Data: < ÛÇ”Ø > 80 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D894C7D8E0, 16 bytes long.
Data: <XÛÇ”Ø > 58 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002D894C7A240, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002D894C7D890, 16 bytes long.
Data: <0ÛÇ”Ø > 30 DB C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D894C7DB30, 992 bytes long.
Data: < ØÇ”Ø @¢Ç”Ø > 90 D8 C7 94 D8 02 00 00 40 A2 C7 94 D8 02 00 00
{92} normal block at 0x000002D894C797C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002D894C6FC80, 16 bytes long.
Data: <àjÇ”Ø > E0 6A C7 94 D8 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002D894C76AE0, 40 bytes long.
Data: < üÆ”Ø À—Ç”Ø > 80 FC C6 94 D8 02 00 00 C0 97 C7 94 D8 02 00 00
{69} normal block at 0x000002D894C6FAF0, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D894C6F0F0, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D894C6F8C0, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D894C6F4B0, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D894C6FA50, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D894C6F190, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D894C6EFB0, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D894C6F690, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D894C6F6E0, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D894C6F7D0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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