Task 38683036
| Name | test_48-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5772_0 |
| Workunit | 31624621 |
| Created | 27 Oct 2026, 10:10:42 UTC |
| Sent | 27 Oct 2026, 10:10:45 UTC |
| Report deadline | 1 Nov 2026, 10:10:45 UTC |
| Received | 27 Oct 2026, 11:14:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 2 min 15 sec |
| CPU time | 58 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,168.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.61 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 4.08 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:13:34 (17160): wrapper (7.9.26016): starting
11:13:34 (17160): 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
11:13:37 (17160): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:37 (17160): 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\15\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\15\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
12:13:33 (17160): C:/Windows/system32/cmd.exe exited; CPU time 3536.656250
12:13:33 (17160): 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: 70384403 bytes.
Dumping objects ->
{3835893} normal block at 0x000001B1143F5A80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835882} normal block at 0x000001B1143F57E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835871} normal block at 0x000001B1143F5EE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835860} normal block at 0x000001B1143F5D90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x000001B1143F5B60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835818} normal block at 0x000001B115FD4E90, 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) : {3835805} normal block at 0x000001B1143EE610, 8 bytes long.
Data: < Ü ± > 00 00 DC 15 B1 01 00 00
{3833957} normal block at 0x000001B1143EED40, 8 bytes long.
Data: < A ± > 80 99 41 14 B1 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B1143F0720, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B1143E57D0, 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 0x000001B1143F4C20, 16 bytes long.
Data: < V? ± > 98 56 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B1143F4540, 16 bytes long.
Data: <pV? ± > 70 56 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B1143EF990, 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 0x000001B1143F4770, 16 bytes long.
Data: <HV? ± > 48 56 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B1143F5120, 16 bytes long.
Data: < V? ± > 20 56 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B1143F50D0, 16 bytes long.
Data: <øU? ± > F8 55 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B1143F4720, 16 bytes long.
Data: <ÐU? ± > D0 55 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B1143F5BD0, 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 0x000001B1143F44F0, 16 bytes long.
Data: <¨‡> ± > A8 87 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B1143EF870, 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 0x000001B1143F4EA0, 16 bytes long.
Data: < ‡> ± > 80 87 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B1143F44A0, 16 bytes long.
Data: <X‡> ± > 58 87 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B1143F4450, 16 bytes long.
Data: <0‡> ± > 30 87 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B1143F4F40, 16 bytes long.
Data: < ‡> ± > 08 87 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B1143F4400, 16 bytes long.
Data: <à†> ± > E0 86 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B1143F5300, 16 bytes long.
Data: <¸†> ± > B8 86 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B1143EF4B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001B1143F4BD0, 16 bytes long.
Data: < †> ± > 90 86 3E 14 B1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B1143E8690, 320 bytes long.
Data: <ÐK? ± °ô> ± > D0 4B 3F 14 B1 01 00 00 B0 F4 3E 14 B1 01 00 00
{274} normal block at 0x000001B1143F4680, 16 bytes long.
Data: <°U? ± > B0 55 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B1143F49A0, 16 bytes long.
Data: < U? ± > 88 55 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B1143EF2D0, 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 0x000001B1143F5170, 16 bytes long.
Data: <`U? ± > 60 55 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B1143EF390, 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 0x000001B1143F43B0, 16 bytes long.
Data: <¨T? ± > A8 54 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B1143F4D60, 16 bytes long.
Data: < T? ± > 80 54 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B1143F47C0, 16 bytes long.
Data: <XT? ± > 58 54 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B1143F4E50, 16 bytes long.
Data: <0T? ± > 30 54 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B1143F4590, 16 bytes long.
Data: < T? ± > 08 54 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B1143F4A40, 16 bytes long.
Data: <àS? ± > E0 53 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B1143F4B30, 16 bytes long.
Data: < ï= ± > 00 EF 3D 14 B1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B1143DEF00, 40 bytes long.
Data: <0K? ± Ný ± > 30 4B 3F 14 B1 01 00 00 90 4E FD 15 B1 01 00 00
{260} normal block at 0x000001B1143F48B0, 16 bytes long.
Data: <ÀS? ± > C0 53 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B1143F52B0, 16 bytes long.
Data: < S? ± > 98 53 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B1143EF7B0, 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 0x000001B1143F5210, 16 bytes long.
Data: <pS? ± > 70 53 3F 14 B1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B1143F5370, 992 bytes long.
Data: < R? ± °÷> ± > 10 52 3F 14 B1 01 00 00 B0 F7 3E 14 B1 01 00 00
{92} normal block at 0x000001B1143EFAB0, 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 0x000001B1143EE750, 16 bytes long.
Data: <ÀÆ= ± > C0 C6 3D 14 B1 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B1143DC6C0, 40 bytes long.
Data: <Pç> ± °ú> ± > 50 E7 3E 14 B1 01 00 00 B0 FA 3E 14 B1 01 00 00
{69} normal block at 0x000001B1143EEC00, 16 bytes long.
Data: < êûý÷ > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B1143EE7A0, 16 bytes long.
Data: <@éûý÷ > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B1143EE660, 16 bytes long.
Data: <øWøý÷ > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B1143EE840, 16 bytes long.
Data: <ØWøý÷ > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B1143EE020, 16 bytes long.
Data: <P øý÷ > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B1143EE250, 16 bytes long.
Data: <0 øý÷ > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B1143EE700, 16 bytes long.
Data: <à øý÷ > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B1143EE3E0, 16 bytes long.
Data: < øý÷ > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B1143EE480, 16 bytes long.
Data: <p øý÷ > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B1143EDFD0, 16 bytes long.
Data: < Àöý÷ > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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