Task 38699991
| Name | test_351-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9046_1 |
| Workunit | 31640311 |
| Created | 6 Nov 2026, 12:40:37 UTC |
| Sent | 6 Nov 2026, 12:40:40 UTC |
| Report deadline | 11 Nov 2026, 12:40:40 UTC |
| Received | 6 Nov 2026, 14:12:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655048 |
| Run time | 1 hours 13 min 34 sec |
| CPU time | 1 hours 8 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.08 MB |
| Peak swap size | 2.30 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:59:52 (5436): wrapper (7.9.26016): starting
13:59:52 (5436): 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
13:59:54 (5436): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:59:54 (5436): 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
15:11:40 (5436): C:/Windows/system32/cmd.exe exited; CPU time 4122.828125
15:11:40 (5436): 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: 48763039 bytes.
Dumping objects ->
{3835183} normal block at 0x000001B8E3D87460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001B8E3D87D20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835161} normal block at 0x000001B8E3D87BD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835150} normal block at 0x000001B8E3D88180, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835139} normal block at 0x000001B8E3D87B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835108} normal block at 0x000001B8E5916B20, 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) : {3835095} normal block at 0x000001B8E3D57010, 8 bytes long.
Data: < {å¸ > 00 00 7B E5 B8 01 00 00
{3833951} normal block at 0x000001B8E3D56FC0, 8 bytes long.
Data: <pŠØ㸠> 70 8A D8 E3 B8 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001B8E3D62C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B8E3D4AB50, 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 0x000001B8E3D647A0, 16 bytes long.
Data: <HQÖ㸠> 48 51 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B8E3D63DF0, 16 bytes long.
Data: < QÖ㸠> 20 51 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B8E3D5C920, 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 0x000001B8E3D64160, 16 bytes long.
Data: <øPÖ㸠> F8 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B8E3D63D50, 16 bytes long.
Data: <ÐPÖ㸠> D0 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B8E3D64700, 16 bytes long.
Data: <¨PÖ㸠> A8 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B8E3D64110, 16 bytes long.
Data: < PÖ㸠> 80 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B8E3D5B680, 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 0x000001B8E3D644D0, 16 bytes long.
Data: <¸ÅÕ㸠> B8 C5 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B8E3D5D040, 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 0x000001B8E3D63F30, 16 bytes long.
Data: < ÅÕ㸠> 90 C5 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B8E3D64430, 16 bytes long.
Data: <hÅÕ㸠> 68 C5 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B8E3D64660, 16 bytes long.
Data: <@ÅÕ㸠> 40 C5 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B8E3D64750, 16 bytes long.
Data: < ÅÕ㸠> 18 C5 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B8E3D64020, 16 bytes long.
Data: <ðÄÕ㸠> F0 C4 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B8E3D63D00, 16 bytes long.
Data: <ÈÄÕ㸠> C8 C4 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B8E3D5D220, 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 0x000001B8E3D64C00, 16 bytes long.
Data: < ÄÕ㸠> A0 C4 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B8E3D5C4A0, 320 bytes long.
Data: < LÖ㸠ÒÕ㸠> 00 4C D6 E3 B8 01 00 00 20 D2 D5 E3 B8 01 00 00
{271} normal block at 0x000001B8E3D64B10, 16 bytes long.
Data: <`PÖ㸠> 60 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B8E3D64BB0, 16 bytes long.
Data: <8PÖ㸠> 38 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B8E3D5C8C0, 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 0x000001B8E3D641B0, 16 bytes long.
Data: < PÖ㸠> 10 50 D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B8E3D5D400, 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 0x000001B8E3D642F0, 16 bytes long.
Data: <XOÖ㸠> 58 4F D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B8E3D63E90, 16 bytes long.
Data: <0OÖ㸠> 30 4F D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B8E3D646B0, 16 bytes long.
Data: < OÖ㸠> 08 4F D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B8E3D63DA0, 16 bytes long.
Data: <àNÖ㸠> E0 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B8E3D640C0, 16 bytes long.
Data: <¸NÖ㸠> B8 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B8E3D64250, 16 bytes long.
Data: < NÖ㸠> 90 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B8E3D64A70, 16 bytes long.
Data: < ³Õ㸠> 00 B3 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B8E3D5B300, 40 bytes long.
Data: <pJÖ㸠k‘å¸ > 70 4A D6 E3 B8 01 00 00 20 6B 91 E5 B8 01 00 00
{257} normal block at 0x000001B8E3D63F80, 16 bytes long.
Data: <pNÖ㸠> 70 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B8E3D645C0, 16 bytes long.
Data: <HNÖ㸠> 48 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B8E3D5C680, 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 0x000001B8E3D63E40, 16 bytes long.
Data: < NÖ㸠> 20 4E D6 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B8E3D64E20, 992 bytes long.
Data: <@>Ö㸠ÆÕ㸠> 40 3E D6 E3 B8 01 00 00 80 C6 D5 E3 B8 01 00 00
{89} normal block at 0x000001B8E3D5D2E0, 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 0x000001B8E3D565C0, 16 bytes long.
Data: < Õ㸠> 20 B2 D5 E3 B8 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001B8E3D5B220, 40 bytes long.
Data: <ÀeÕ㸠àÒÕ㸠> C0 65 D5 E3 B8 01 00 00 E0 D2 D5 E3 B8 01 00 00
{66} normal block at 0x000001B8E3D56DE0, 16 bytes long.
Data: < ê ?ö > 80 EA A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B8E3D56890, 16 bytes long.
Data: <@é ?ö > 40 E9 A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B8E3D56B60, 16 bytes long.
Data: <øWŸ?ö > F8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B8E3D56CA0, 16 bytes long.
Data: <ØWŸ?ö > D8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B8E3D56F20, 16 bytes long.
Data: <P Ÿ?ö > 50 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B8E3D56980, 16 bytes long.
Data: <0 Ÿ?ö > 30 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B8E3D56E80, 16 bytes long.
Data: <à Ÿ?ö > E0 02 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B8E3D56E30, 16 bytes long.
Data: < Ÿ?ö > 10 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B8E3D56570, 16 bytes long.
Data: <p Ÿ?ö > 70 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B8E3D57290, 16 bytes long.
Data: < À?ö > 18 C0 9D 3F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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