Task 38688424
| Name | test_841-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2316_0 |
| Workunit | 31629776 |
| Created | 28 Oct 2026, 13:49:44 UTC |
| Sent | 28 Oct 2026, 13:49:51 UTC |
| Report deadline | 2 Nov 2026, 13:49:51 UTC |
| Received | 28 Oct 2026, 14:59:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610949 |
| Run time | 35 min 7 sec |
| CPU time | 28 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.14 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:25:12 (46120): wrapper (7.9.26016): starting
23:25:12 (46120): 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
23:25:13 (46120): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:25:13 (46120): 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\18\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\18\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
23:59:21 (46120): C:/Windows/system32/cmd.exe exited; CPU time 1729.765625
23:59:21 (46120): 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: 48151195 bytes.
Dumping objects ->
{3835380} normal block at 0x000001B940FB16A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835369} normal block at 0x000001B940FB1A90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835358} normal block at 0x000001B940FB1EF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835347} normal block at 0x000001B940FB1160, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835336} normal block at 0x000001B940FB19B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835305} normal block at 0x000001B940FC6EB0, 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) : {3835292} normal block at 0x000001B940FAECE0, 8 bytes long.
Data: < ÁB¹ > 00 00 C1 42 B9 01 00 00
{3834077} normal block at 0x000001B940FAE920, 8 bytes long.
Data: <° ¤D¹ > B0 8B A4 44 B9 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001B940F9F330, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B940F98A30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001B940FAEC90, 16 bytes long.
Data: <xÞ @¹ > 78 DE FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B940FAEE20, 16 bytes long.
Data: <PÞ @¹ > 50 DE FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B940FA6680, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001B940FAE8D0, 16 bytes long.
Data: <(Þ @¹ > 28 DE FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B940FAE1A0, 16 bytes long.
Data: < Þ @¹ > 00 DE FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B940FAAC50, 16 bytes long.
Data: <ØÝ @¹ > D8 DD FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B940FAAC00, 16 bytes long.
Data: <°Ý @¹ > B0 DD FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B940FA7460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001B940FAABB0, 16 bytes long.
Data: <¨Ø @¹ > A8 D8 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B940FA6DA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001B940FAA930, 16 bytes long.
Data: < Ø @¹ > 80 D8 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B940FAA890, 16 bytes long.
Data: <XØ @¹ > 58 D8 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B940FAA7F0, 16 bytes long.
Data: <0Ø @¹ > 30 D8 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B940FAA160, 16 bytes long.
Data: < Ø @¹ > 08 D8 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B940FAA110, 16 bytes long.
Data: < × @¹ > E0 D7 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B940FA9F80, 16 bytes long.
Data: <¸× @¹ > B8 D7 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B940FA6C80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001B940FAA6B0, 16 bytes long.
Data: < × @¹ > 90 D7 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B940FAD790, 320 bytes long.
Data: <°¦ @¹ l @¹ > B0 A6 FA 40 B9 01 00 00 80 6C FA 40 B9 01 00 00
{281} normal block at 0x000001B940FAAA70, 16 bytes long.
Data: < Ý @¹ > 90 DD FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B940FAA430, 16 bytes long.
Data: <hÝ @¹ > 68 DD FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B940FA6980, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001B940FAA660, 16 bytes long.
Data: <@Ý @¹ > 40 DD FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B940FA68C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001B940FAA750, 16 bytes long.
Data: < Ü @¹ > 88 DC FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B940FAA700, 16 bytes long.
Data: <`Ü @¹ > 60 DC FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B940FAA480, 16 bytes long.
Data: <8Ü @¹ > 38 DC FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B940FAA840, 16 bytes long.
Data: < Ü @¹ > 10 DC FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B940FAA390, 16 bytes long.
Data: < Û @¹ > E8 DB FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B940FAA980, 16 bytes long.
Data: <ÀÛ @¹ > C0 DB FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B940FAA5C0, 16 bytes long.
Data: <Px @¹ > 50 78 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B940FA7850, 40 bytes long.
Data: <À¥ @¹ °n @¹ > C0 A5 FA 40 B9 01 00 00 B0 6E FC 40 B9 01 00 00
{267} normal block at 0x000001B940FAA2F0, 16 bytes long.
Data: < Û @¹ > A0 DB FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B940FAA2A0, 16 bytes long.
Data: <xÛ @¹ > 78 DB FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B940FA65C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001B940FAA0C0, 16 bytes long.
Data: <PÛ @¹ > 50 DB FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B940FADB50, 992 bytes long.
Data: <À @¹ Àe @¹ > C0 A0 FA 40 B9 01 00 00 C0 65 FA 40 B9 01 00 00
{99} normal block at 0x000001B940FA6C20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001B940FAA9D0, 16 bytes long.
Data: < s @¹ > F0 73 FA 40 B9 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001B940FA73F0, 40 bytes long.
Data: <Щ @¹ l @¹ > D0 A9 FA 40 B9 01 00 00 20 6C FA 40 B9 01 00 00
{74} normal block at 0x000001B940FAACA0, 16 bytes long.
Data: < Ä > 80 EA C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B940FAAA20, 16 bytes long.
Data: <@ Ä > 40 E9 C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B940FAAAC0, 16 bytes long.
Data: < WÁ > F8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B940FA9DF0, 16 bytes long.
Data: <ØWÁ > D8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B940FA9DA0, 16 bytes long.
Data: <P Á > 50 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B940FAA020, 16 bytes long.
Data: <0 Á > 30 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B940F9C220, 16 bytes long.
Data: < Á > E0 02 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B940F9C180, 16 bytes long.
Data: < Á > 10 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B940F9C130, 16 bytes long.
Data: <p Á > 70 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B940F9CDB0, 16 bytes long.
Data: < À¿ > 18 C0 BF 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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