Task 38659037
| Name | test_1176-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND2826_0 |
| Workunit | 31602593 |
| Created | 24 Oct 2026, 13:14:05 UTC |
| Sent | 24 Oct 2026, 14:30:30 UTC |
| Report deadline | 29 Oct 2026, 14:30:30 UTC |
| Received | 24 Oct 2026, 14:56:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 559888 |
| Run time | 21 min 35 sec |
| CPU time | 18 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 112,285.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.73 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:36:04 (27800): wrapper (7.9.26016): starting
15:36:04 (27800): 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
15:36:07 (27800): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:36:07 (27800): 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 'D:\Boinc\data\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 'D:\Boinc\data\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
15:55:58 (27800): C:/Windows/system32/cmd.exe exited; CPU time 1137.546875
15:55:58 (27800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 29139156 bytes.
Dumping objects ->
{3835279} normal block at 0x000001C6A05249A0, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835268} normal block at 0x000001C6A2295AB0, 32 bytes long.
Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835257} normal block at 0x000001C6A2296290, 32 bytes long.
Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74
{3835246} normal block at 0x000001C6A2295C90, 32 bytes long.
Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835235} normal block at 0x000001C6A22957B0, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835204} normal block at 0x000001C6A0524930, 48 bytes long.
Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61
{3835193} normal block at 0x000001C6A225C1C0, 85 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) : {3835190} normal block at 0x000001C6A051EF60, 8 bytes long.
Data: < K Æ > 00 00 4B A0 C6 01 00 00
{3834567} normal block at 0x000001C6A225C4E0, 85 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 0x000001C6A051E830, 8 bytes long.
Data: < :*¢Æ > 00 3A 2A A2 C6 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C6A0520D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C6A0516440, 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 0x000001C6A0525B50, 16 bytes long.
Data: <hfR Æ > 68 66 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C6A0525420, 16 bytes long.
Data: <@fR Æ > 40 66 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C6A051FA80, 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 0x000001C6A0525830, 16 bytes long.
Data: < fR Æ > 18 66 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C6A0526230, 16 bytes long.
Data: <ðeR Æ > F0 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C6A05261E0, 16 bytes long.
Data: <ÈeR Æ > C8 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C6A05254C0, 16 bytes long.
Data: < eR Æ > A0 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C6A0524A80, 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 0x000001C6A0526190, 16 bytes long.
Data: < ¶P Æ > 18 B6 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C6A0520380, 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 0x000001C6A05257E0, 16 bytes long.
Data: <ðµP Æ > F0 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C6A0525790, 16 bytes long.
Data: <ȵP Æ > C8 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C6A05260A0, 16 bytes long.
Data: < µP Æ > A0 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C6A0526140, 16 bytes long.
Data: <xµP Æ > 78 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C6A05253D0, 16 bytes long.
Data: <PµP Æ > 50 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C6A0525BA0, 16 bytes long.
Data: <(µP Æ > 28 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C6A051FDE0, 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 0x000001C6A05256F0, 16 bytes long.
Data: < µP Æ > 00 B5 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C6A050B500, 320 bytes long.
Data: <ðVR Æ àýQ Æ > F0 56 52 A0 C6 01 00 00 E0 FD 51 A0 C6 01 00 00
{276} normal block at 0x000001C6A0526000, 16 bytes long.
Data: < eR Æ > 80 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C6A0525EC0, 16 bytes long.
Data: <XeR Æ > 58 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C6A051F900, 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 0x000001C6A0525A10, 16 bytes long.
Data: <0eR Æ > 30 65 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C6A0520080, 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 0x000001C6A0525D80, 16 bytes long.
Data: <xdR Æ > 78 64 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C6A0525740, 16 bytes long.
Data: <PdR Æ > 50 64 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C6A0525E70, 16 bytes long.
Data: <(dR Æ > 28 64 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C6A0525F10, 16 bytes long.
Data: < dR Æ > 00 64 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C6A05260F0, 16 bytes long.
Data: <ØcR Æ > D8 63 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C6A0525650, 16 bytes long.
Data: <°cR Æ > B0 63 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C6A05256A0, 16 bytes long.
Data: <°LR Æ > B0 4C 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C6A0524CB0, 40 bytes long.
Data: < VR Æ 0IR Æ > A0 56 52 A0 C6 01 00 00 30 49 52 A0 C6 01 00 00
{262} normal block at 0x000001C6A0525380, 16 bytes long.
Data: < cR Æ > 90 63 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C6A0525470, 16 bytes long.
Data: <hcR Æ > 68 63 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C6A0520020, 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 0x000001C6A0525A60, 16 bytes long.
Data: <@cR Æ > 40 63 52 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C6A0526340, 992 bytes long.
Data: <`ZR Æ R Æ > 60 5A 52 A0 C6 01 00 00 20 00 52 A0 C6 01 00 00
{94} normal block at 0x000001C6A0520140, 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 0x000001C6A051F780, 16 bytes long.
Data: <ÀïP Æ > C0 EF 50 A0 C6 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001C6A050EFC0, 40 bytes long.
Data: < ÷Q Æ @ R Æ > 80 F7 51 A0 C6 01 00 00 40 01 52 A0 C6 01 00 00
{71} normal block at 0x000001C6A051F140, 16 bytes long.
Data: < êN.ö > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C6A051ED80, 16 bytes long.
Data: <@éN.ö > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C6A051EAB0, 16 bytes long.
Data: <øWK.ö > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C6A051F690, 16 bytes long.
Data: <ØWK.ö > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C6A051F320, 16 bytes long.
Data: <P K.ö > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C6A051F730, 16 bytes long.
Data: <0 K.ö > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C6A051EE20, 16 bytes long.
Data: <à K.ö > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C6A051F280, 16 bytes long.
Data: < K.ö > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C6A051F640, 16 bytes long.
Data: <p K.ö > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C6A051EEC0, 16 bytes long.
Data: < ÀI.ö > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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