Task 38687672
| Name | test_603-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8577_0 |
| Workunit | 31629055 |
| Created | 28 Oct 2026, 9:09:08 UTC |
| Sent | 28 Oct 2026, 9:09:13 UTC |
| Report deadline | 2 Nov 2026, 9:09:13 UTC |
| Received | 28 Oct 2026, 10:04:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 53 min 2 sec |
| CPU time | 36 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.96 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 4.15 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
17:15:53 (37916): wrapper (7.9.26016): starting
17:15:53 (37916): 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
17:15:55 (37916): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:15:55 (37916): 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\28\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\28\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
18:03:23 (37916): C:/Windows/system32/cmd.exe exited; CPU time 2174.031250
18:03:23 (37916): 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: 66948223 bytes.
Dumping objects ->
{3835351} normal block at 0x0000022823032070, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835340} normal block at 0x0000022823032B60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835329} normal block at 0x0000022823032BD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835318} normal block at 0x000002281F71A9C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x000002281F71A950, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835276} normal block at 0x000002282301B6B0, 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) : {3835263} normal block at 0x000002281F700790, 8 bytes long.
Data: < #( > 00 00 11 23 28 02 00 00
{3834057} normal block at 0x000002281F700290, 8 bytes long.
Data: < q ( > F0 B5 71 1F 28 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002281F6ED060, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002281F6E0380, 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 0x000002281F7006F0, 16 bytes long.
Data: < q ( > E8 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002281F7006A0, 16 bytes long.
Data: < q ( > C0 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002281F6FF760, 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 0x000002281F700650, 16 bytes long.
Data: < q ( > 98 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002281F700600, 16 bytes long.
Data: <p q ( > 70 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002281F6FFFC0, 16 bytes long.
Data: <H q ( > 48 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002281F6FFF70, 16 bytes long.
Data: < q ( > 20 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002281F71AAA0, 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 0x000002281F700E20, 16 bytes long.
Data: <( q ( > 28 BD 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002281F6FFB80, 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 0x000002281F700B00, 16 bytes long.
Data: < q ( > 00 BD 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002281F7005B0, 16 bytes long.
Data: < q ( > D8 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002281F700D80, 16 bytes long.
Data: < q ( > B0 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002281F700970, 16 bytes long.
Data: < q ( > 88 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002281F7008D0, 16 bytes long.
Data: <` q ( > 60 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002281F700560, 16 bytes long.
Data: <8 q ( > 38 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002281F6FEFE0, 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 0x000002281F700880, 16 bytes long.
Data: < q ( > 10 BC 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002281F71BC10, 320 bytes long.
Data: < p ( o ( > 80 08 70 1F 28 02 00 00 E0 EF 6F 1F 28 02 00 00
{276} normal block at 0x000002281F700510, 16 bytes long.
Data: < q ( > 00 C5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002281F700920, 16 bytes long.
Data: < q ( > D8 C4 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002281F6FF220, 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 0x000002281F7004C0, 16 bytes long.
Data: < q ( > B0 C4 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002281F6FF5E0, 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 0x000002281F700830, 16 bytes long.
Data: < q ( > F8 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002281F700420, 16 bytes long.
Data: < q ( > D0 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002281F700A60, 16 bytes long.
Data: < q ( > A8 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002281F7003D0, 16 bytes long.
Data: < q ( > 80 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002281F700380, 16 bytes long.
Data: <X q ( > 58 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002281F7001F0, 16 bytes long.
Data: <0 q ( > 30 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002281F700A10, 16 bytes long.
Data: < q ( > B0 A6 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002281F71A6B0, 40 bytes long.
Data: < p ( #( > 10 0A 70 1F 28 02 00 00 B0 B6 01 23 28 02 00 00
{262} normal block at 0x000002281F700D30, 16 bytes long.
Data: < q ( > 10 C3 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002281F700150, 16 bytes long.
Data: < q ( > E8 C2 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002281F6FF7C0, 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 0x000002281F700BA0, 16 bytes long.
Data: < q ( > C0 C2 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002281F71C2C0, 992 bytes long.
Data: < p ( o ( > A0 0B 70 1F 28 02 00 00 C0 F7 6F 1F 28 02 00 00
{94} normal block at 0x000002281F6FFA00, 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 0x000002281F700240, 16 bytes long.
Data: < q ( > D0 A5 71 1F 28 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002281F71A5D0, 40 bytes long.
Data: <@ p ( o ( > 40 02 70 1F 28 02 00 00 00 FA 6F 1F 28 02 00 00
{69} normal block at 0x000002281F6F0930, 16 bytes long.
Data: < O > 80 EA 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002281F6F0070, 16 bytes long.
Data: <@ O > 40 E9 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002281F6F0980, 16 bytes long.
Data: < WL > F8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002281F6F07F0, 16 bytes long.
Data: < WL > D8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002281F6EFF30, 16 bytes long.
Data: <P L > 50 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002281F6EFEE0, 16 bytes long.
Data: <0 L > 30 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002281F6EFE90, 16 bytes long.
Data: < L > E0 02 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002281F6F05C0, 16 bytes long.
Data: < L > 10 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002281F6EFE40, 16 bytes long.
Data: <p L > 70 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002281F6EFFD0, 16 bytes long.
Data: < J > 18 C0 4A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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