Task 38686525
| Name | test_555-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3763_0 |
| Workunit | 31627956 |
| Created | 28 Oct 2026, 3:03:20 UTC |
| Sent | 28 Oct 2026, 3:03:25 UTC |
| Report deadline | 2 Nov 2026, 3:03:25 UTC |
| Received | 28 Oct 2026, 5:27:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590887 |
| Run time | 38 min 48 sec |
| CPU time | 34 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,977.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 669.15 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:50:02 (131752): wrapper (7.9.26016): starting
23:50:02 (131752): 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
23:50:04 (131752): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:50:04 (131752): 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 'E:\ProgramData\BOINC\slots\1\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 'E:\ProgramData\BOINC\slots\1\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
00:26:49 (131752): C:/Windows/system32/cmd.exe exited; CPU time 2072.796875
00:26:49 (131752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 35896615 bytes.
Dumping objects ->
{3835286} normal block at 0x000002723968FEC0, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x000002723968F910, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x0000027239690160, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835253} normal block at 0x0000027237A27070, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000027237A27000, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835211} normal block at 0x00000272396D9F90, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835200} normal block at 0x0000027237A8C270, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835197} normal block at 0x0000027237A1F1C0, 8 bytes long.
Data: < í7r > 00 00 ED 37 72 02 00 00
{3834570} normal block at 0x0000027237A8CA90, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000027237A1F580, 8 bytes long.
Data: <Àhs9r > C0 68 73 39 72 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027237A23800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027237A18580, 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 0x0000027237A27E60, 16 bytes long.
Data: <¸…¢7r > B8 85 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027237A278C0, 16 bytes long.
Data: < …¢7r > 90 85 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027237A21A50, 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 0x0000027237A27A00, 16 bytes long.
Data: <h…¢7r > 68 85 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027237A275F0, 16 bytes long.
Data: <@…¢7r > 40 85 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027237A27870, 16 bytes long.
Data: < …¢7r > 18 85 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027237A27E10, 16 bytes long.
Data: <ð„¢7r > F0 84 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027237A26EB0, 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 0x0000027237A27320, 16 bytes long.
Data: <8¾ 7r > 38 BE A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027237A211B0, 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 0x0000027237A27730, 16 bytes long.
Data: < ¾ 7r > 10 BE A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027237A27EB0, 16 bytes long.
Data: <è½ 7r > E8 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027237A27780, 16 bytes long.
Data: <À½ 7r > C0 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027237A28220, 16 bytes long.
Data: < ½ 7r > 98 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027237A281D0, 16 bytes long.
Data: <p½ 7r > 70 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027237A27460, 16 bytes long.
Data: <H½ 7r > 48 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027237A210F0, 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 0x0000027237A27820, 16 bytes long.
Data: < ½ 7r > 20 BD A0 37 72 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027237A0BD20, 320 bytes long.
Data: < x¢7r ð ¢7r > 20 78 A2 37 72 02 00 00 F0 10 A2 37 72 02 00 00
{276} normal block at 0x0000027237A28180, 16 bytes long.
Data: <Є¢7r > D0 84 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027237A27F50, 16 bytes long.
Data: <¨„¢7r > A8 84 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027237A21DB0, 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 0x0000027237A275A0, 16 bytes long.
Data: < „¢7r > 80 84 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027237A21E10, 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 0x0000027237A28130, 16 bytes long.
Data: <ȃ¢7r > C8 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027237A280E0, 16 bytes long.
Data: < ƒ¢7r > A0 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027237A27DC0, 16 bytes long.
Data: <xĢ7r > 78 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027237A277D0, 16 bytes long.
Data: <PĢ7r > 50 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027237A27CD0, 16 bytes long.
Data: <(Ģ7r > 28 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027237A274B0, 16 bytes long.
Data: < Ģ7r > 00 83 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027237A28040, 16 bytes long.
Data: <Àq¢7r > C0 71 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027237A271C0, 40 bytes long.
Data: <@ ¢7r Ÿm9r > 40 80 A2 37 72 02 00 00 90 9F 6D 39 72 02 00 00
{262} normal block at 0x0000027237A27B90, 16 bytes long.
Data: <à‚¢7r > E0 82 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027237A272D0, 16 bytes long.
Data: <¸‚¢7r > B8 82 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027237A21CF0, 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 0x0000027237A273C0, 16 bytes long.
Data: < ‚¢7r > 90 82 A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027237A28290, 992 bytes long.
Data: <Às¢7r ð ¢7r > C0 73 A2 37 72 02 00 00 F0 1C A2 37 72 02 00 00
{94} normal block at 0x0000027237A21030, 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 0x0000027237A1F6C0, 16 bytes long.
Data: < k¢7r > A0 6B A2 37 72 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000027237A26BA0, 40 bytes long.
Data: <Àö¡7r 0 ¢7r > C0 F6 A1 37 72 02 00 00 30 10 A2 37 72 02 00 00
{71} normal block at 0x0000027237A1F2B0, 16 bytes long.
Data: < ê›Øö > 80 EA 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027237A1F080, 16 bytes long.
Data: <@é›Øö > 40 E9 9B D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027237A1ED10, 16 bytes long.
Data: <øW Øö > F8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027237A1EFE0, 16 bytes long.
Data: <ØW Øö > D8 57 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027237A1F620, 16 bytes long.
Data: <P Øö > 50 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027237A1F030, 16 bytes long.
Data: <0 Øö > 30 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027237A1F760, 16 bytes long.
Data: <à Øö > E0 02 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027237A1F4E0, 16 bytes long.
Data: < Øö > 10 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027237A1F260, 16 bytes long.
Data: <p Øö > 70 04 98 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027237A1EF90, 16 bytes long.
Data: < À–Øö > 18 C0 96 D8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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