Task 38672796
| Name | test_749-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1962_0 |
| Workunit | 31614913 |
| Created | 26 Oct 2026, 0:28:44 UTC |
| Sent | 26 Oct 2026, 0:28:54 UTC |
| Report deadline | 31 Oct 2026, 0:28:54 UTC |
| Received | 26 Oct 2026, 1:47:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654728 |
| Run time | 1 hours 9 min 14 sec |
| CPU time | 1 hours 5 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 635.89 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 4.19 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:38:48 (5380): wrapper (7.9.26016): starting
19:38:48 (5380): 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
19:38:49 (5380): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:38:49 (5380): 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\3\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\3\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
20:46:52 (5380): C:/Windows/system32/cmd.exe exited; CPU time 3928.421875
20:46:52 (5380): 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: 50887509 bytes.
Dumping objects ->
{3835276} normal block at 0x000001C1C0E24800, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000001C1C0E24790, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000001C1C0E246B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835243} normal block at 0x000001C1C0E24560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x000001C1C0E24410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835201} normal block at 0x000001C1C2A57160, 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) : {3835188} normal block at 0x000001C1C0E202F0, 8 bytes long.
Data: < ÁÁ > 00 00 19 C1 C1 01 00 00
{3833957} normal block at 0x000001C1C0E1FF30, 8 bytes long.
Data: <ÐH®ÂÁ > D0 48 AE C2 C1 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001C1C0E20C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C1C0E160A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001C1C0E256E0, 16 bytes long.
Data: <¨TâÀÁ > A8 54 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C1C0E25A00, 16 bytes long.
Data: < TâÀÁ > 80 54 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C1C0E1F010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001C1C0E25690, 16 bytes long.
Data: <XTâÀÁ > 58 54 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C1C0E26540, 16 bytes long.
Data: <0TâÀÁ > 30 54 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C1C0E257D0, 16 bytes long.
Data: < TâÀÁ > 08 54 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C1C0E25820, 16 bytes long.
Data: <àSâÀÁ > E0 53 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C1C0E24640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001C1C0E264F0, 16 bytes long.
Data: < ŽáÀÁ > 98 8E E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C1C0E1EA10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001C1C0E26090, 16 bytes long.
Data: <pŽáÀÁ > 70 8E E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C1C0E25CD0, 16 bytes long.
Data: <HŽáÀÁ > 48 8E E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C1C0E25F50, 16 bytes long.
Data: < ŽáÀÁ > 20 8E E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C1C0E25EB0, 16 bytes long.
Data: <ø áÀÁ > F8 8D E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C1C0E25640, 16 bytes long.
Data: <Ð áÀÁ > D0 8D E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C1C0E26220, 16 bytes long.
Data: <¨ áÀÁ > A8 8D E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C1C0E1E9B0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{276} normal block at 0x000001C1C0E26360, 16 bytes long.
Data: < áÀÁ > 80 8D E1 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C1C0E18D80, 320 bytes long.
Data: <`câÀÁ °éáÀÁ > 60 63 E2 C0 C1 01 00 00 B0 E9 E1 C0 C1 01 00 00
{274} normal block at 0x000001C1C0E25BE0, 16 bytes long.
Data: <ÀSâÀÁ > C0 53 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C1C0E264A0, 16 bytes long.
Data: < SâÀÁ > 98 53 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C1C0E1F1F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001C1C0E255F0, 16 bytes long.
Data: <pSâÀÁ > 70 53 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C1C0E1E590, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001C1C0E25E10, 16 bytes long.
Data: <¸RâÀÁ > B8 52 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C1C0E263B0, 16 bytes long.
Data: < RâÀÁ > 90 52 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C1C0E25780, 16 bytes long.
Data: <hRâÀÁ > 68 52 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C1C0E25870, 16 bytes long.
Data: <@RâÀÁ > 40 52 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C1C0E1FC10, 16 bytes long.
Data: < RâÀÁ > 18 52 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C1C0E1FDF0, 16 bytes long.
Data: <ðQâÀÁ > F0 51 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C1C0E1F6C0, 16 bytes long.
Data: < JâÀÁ > A0 4A E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C1C0E24AA0, 40 bytes long.
Data: <ÀöáÀÁ `q¥ÂÁ > C0 F6 E1 C0 C1 01 00 00 60 71 A5 C2 C1 01 00 00
{260} normal block at 0x000001C1C0E1F620, 16 bytes long.
Data: <ÐQâÀÁ > D0 51 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C1C0E20250, 16 bytes long.
Data: <¨QâÀÁ > A8 51 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C1C0E1EB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001C1C0E200C0, 16 bytes long.
Data: < QâÀÁ > 80 51 E2 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C1C0E25180, 992 bytes long.
Data: <À âÀÁ 0ëáÀÁ > C0 00 E2 C0 C1 01 00 00 30 EB E1 C0 C1 01 00 00
{92} normal block at 0x000001C1C0E1E770, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001C1C0E1FEE0, 16 bytes long.
Data: <ÀîàÀÁ > C0 EE E0 C0 C1 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001C1C0E0EEC0, 40 bytes long.
Data: <àþáÀÁ pçáÀÁ > E0 FE E1 C0 C1 01 00 00 70 E7 E1 C0 C1 01 00 00
{69} normal block at 0x000001C1C0E1F670, 16 bytes long.
Data: < ê zö > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C1C0E1FA30, 16 bytes long.
Data: <@é zö > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C1C0E1FAD0, 16 bytes long.
Data: <øW zö > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C1C0E1FE90, 16 bytes long.
Data: <ØW zö > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C1C0E1F850, 16 bytes long.
Data: <P zö > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C1C0E20390, 16 bytes long.
Data: <0 zö > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C1C0E20160, 16 bytes long.
Data: <à zö > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C1C0E1FE40, 16 bytes long.
Data: < zö > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C1C0E1FBC0, 16 bytes long.
Data: <p zö > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C1C0E1FB20, 16 bytes long.
Data: < À zö > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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