Task 38687102
| Name | test_425-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1249_0 |
| Workunit | 31628508 |
| Created | 28 Oct 2026, 6:02:31 UTC |
| Sent | 28 Oct 2026, 6:02:37 UTC |
| Report deadline | 2 Nov 2026, 6:02:37 UTC |
| Received | 28 Oct 2026, 6:37:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652922 |
| Run time | 19 min 47 sec |
| CPU time | 18 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 43,943.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.01 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:18:04 (46056): wrapper (7.9.26016): starting
01:18:04 (46056): 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
01:18:05 (46056): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:18:05 (46056): 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\11\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\11\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
01:36:41 (46056): C:/Windows/system32/cmd.exe exited; CPU time 1104.984375
01:36:41 (46056): 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: 21172873 bytes.
Dumping objects ->
{3835250} normal block at 0x00000257C64CEBA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x00000257C4826090, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x00000257C4826020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x00000257C4825ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x00000257C4825FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x00000257C6516610, 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) : {3835162} normal block at 0x00000257C481FBB0, 8 bytes long.
Data: < |ÄW > 00 00 7C C4 57 02 00 00
{3833961} normal block at 0x00000257C4820470, 8 bytes long.
Data: <Pê ÄW > 50 EA 8F C4 57 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000257C4822490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000257C4816E90, 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 0x00000257C48265A0, 16 bytes long.
Data: <hu‚ÄW > 68 75 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000257C4826280, 16 bytes long.
Data: <@u‚ÄW > 40 75 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000257C4821320, 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 0x00000257C4826B40, 16 bytes long.
Data: < u‚ÄW > 18 75 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000257C4826F50, 16 bytes long.
Data: <ðt‚ÄW > F0 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000257C4826AA0, 16 bytes long.
Data: <Èt‚ÄW > C8 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000257C4826460, 16 bytes long.
Data: < t‚ÄW > A0 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000257C4825E60, 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 0x00000257C4826AF0, 16 bytes long.
Data: <ÈÖ ÄW > C8 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000257C48211A0, 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 0x00000257C4826550, 16 bytes long.
Data: < Ö ÄW > A0 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000257C48264B0, 16 bytes long.
Data: <xÖ ÄW > 78 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000257C48268C0, 16 bytes long.
Data: <PÖ ÄW > 50 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000257C4826BE0, 16 bytes long.
Data: <(Ö ÄW > 28 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000257C4826410, 16 bytes long.
Data: < Ö ÄW > 00 D6 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000257C48266E0, 16 bytes long.
Data: <ØÕ ÄW > D8 D5 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000257C4820D20, 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 0x00000257C4827090, 16 bytes long.
Data: <°Õ ÄW > B0 D5 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000257C480D5B0, 320 bytes long.
Data: < p‚ÄW ‚ÄW > 90 70 82 C4 57 02 00 00 20 0D 82 C4 57 02 00 00
{276} normal block at 0x00000257C4826640, 16 bytes long.
Data: < t‚ÄW > 80 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000257C4826320, 16 bytes long.
Data: <Xt‚ÄW > 58 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000257C4820A80, 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 0x00000257C4827040, 16 bytes long.
Data: <0t‚ÄW > 30 74 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000257C4820DE0, 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 0x00000257C4826F00, 16 bytes long.
Data: <xs‚ÄW > 78 73 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000257C4826910, 16 bytes long.
Data: <Ps‚ÄW > 50 73 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000257C4826780, 16 bytes long.
Data: <(s‚ÄW > 28 73 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000257C48263C0, 16 bytes long.
Data: < s‚ÄW > 00 73 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000257C4826C80, 16 bytes long.
Data: <Ør‚ÄW > D8 72 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000257C48265F0, 16 bytes long.
Data: <°r‚ÄW > B0 72 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000257C4826D70, 16 bytes long.
Data: <P[‚ÄW > 50 5B 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000257C4825B50, 40 bytes long.
Data: <pm‚ÄW fQÆW > 70 6D 82 C4 57 02 00 00 10 66 51 C6 57 02 00 00
{262} normal block at 0x00000257C4826A50, 16 bytes long.
Data: < r‚ÄW > 90 72 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000257C4826E10, 16 bytes long.
Data: <hr‚ÄW > 68 72 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000257C4821380, 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 0x00000257C4826B90, 16 bytes long.
Data: <@r‚ÄW > 40 72 82 C4 57 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000257C4827240, 992 bytes long.
Data: < k‚ÄW ‚ÄW > 90 6B 82 C4 57 02 00 00 80 13 82 C4 57 02 00 00
{94} normal block at 0x00000257C4820E40, 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 0x00000257C481FD40, 16 bytes long.
Data: < ß ÄW > 80 DF 80 C4 57 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000257C480DF80, 40 bytes long.
Data: <@ý ÄW @ ‚ÄW > 40 FD 81 C4 57 02 00 00 40 0E 82 C4 57 02 00 00
{71} normal block at 0x00000257C481FA70, 16 bytes long.
Data: < ê Zö > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000257C48201A0, 16 bytes long.
Data: <@é Zö > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000257C4820240, 16 bytes long.
Data: <øW Zö > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000257C481F980, 16 bytes long.
Data: <ØW Zö > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000257C481FE30, 16 bytes long.
Data: <P Zö > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000257C481FC50, 16 bytes long.
Data: <0 Zö > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000257C4820380, 16 bytes long.
Data: <à Zö > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000257C481FA20, 16 bytes long.
Data: < Zö > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000257C481FD90, 16 bytes long.
Data: <p Zö > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000257C481F700, 16 bytes long.
Data: < À Zö > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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