Task 38668707
| Name | test_178-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND6894_0 |
| Workunit | 31611162 |
| Created | 25 Oct 2026, 12:31:42 UTC |
| Sent | 25 Oct 2026, 12:31:48 UTC |
| Report deadline | 30 Oct 2026, 12:31:48 UTC |
| Received | 25 Oct 2026, 12:51:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650591 |
| Run time | 18 min 36 sec |
| CPU time | 17 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.37 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:32:54 (18712): wrapper (7.9.26016): starting
13:32:54 (18712): 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
13:32:55 (18712): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:32:55 (18712): 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 'G:\BOINC\DATA\slots\8\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 'G:\BOINC\DATA\slots\8\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
13:50:45 (18712): C:/Windows/system32/cmd.exe exited; CPU time 1065.406250
13:50:45 (18712): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 17159037 bytes.
Dumping objects ->
{3835187} normal block at 0x00000236F1D390E0, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835176} normal block at 0x00000236F3C081E0, 32 bytes long.
Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835165} normal block at 0x00000236F3C082A0, 32 bytes long.
Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54
{3835154} normal block at 0x00000236F3C08420, 32 bytes long.
Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
{3835143} normal block at 0x00000236F3C08F60, 32 bytes long.
Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C
{3835112} normal block at 0x00000236F1D38C80, 48 bytes long.
Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x00000236F1D30A40, 8 bytes long.
Data: < $ò6 > 00 00 24 F2 36 02 00 00
{3833951} normal block at 0x00000236F1D30B30, 8 bytes long.
Data: <ÀzÄó6 > C0 7A C4 F3 36 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000236F1D34120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000236F1D1FD00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000236F1D38210, 16 bytes long.
Data: <XŠÓñ6 > 58 8A D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000236F1D384E0, 16 bytes long.
Data: <0ŠÓñ6 > 30 8A D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000236F1D326B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000236F1D37CC0, 16 bytes long.
Data: < ŠÓñ6 > 08 8A D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000236F1D37DB0, 16 bytes long.
Data: <à‰Óñ6 > E0 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000236F1D37C70, 16 bytes long.
Data: <¸‰Óñ6 > B8 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000236F1D383A0, 16 bytes long.
Data: < ‰Óñ6 > 90 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000236F1D38DD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000236F1D37EA0, 16 bytes long.
Data: <¨ Òñ6 > A8 BD D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000236F1D31E10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000236F1D38260, 16 bytes long.
Data: < Òñ6 > 80 BD D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000236F1D38030, 16 bytes long.
Data: <X Òñ6 > 58 BD D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000236F1D37BD0, 16 bytes long.
Data: <0 Òñ6 > 30 BD D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000236F1D38080, 16 bytes long.
Data: < Òñ6 > 08 BD D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000236F1D379F0, 16 bytes long.
Data: <à¼Òñ6 > E0 BC D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000236F1D37860, 16 bytes long.
Data: <¸¼Òñ6 > B8 BC D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000236F1D31D50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000236F1D380D0, 16 bytes long.
Data: < ¼Òñ6 > 90 BC D2 F1 36 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000236F1D2BC90, 320 bytes long.
Data: <Ð Óñ6 P Óñ6 > D0 80 D3 F1 36 02 00 00 50 1D D3 F1 36 02 00 00
{271} normal block at 0x00000236F1D38530, 16 bytes long.
Data: <p‰Óñ6 > 70 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000236F1D381C0, 16 bytes long.
Data: <H‰Óñ6 > 48 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000236F1D32590, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000236F1D37810, 16 bytes long.
Data: < ‰Óñ6 > 20 89 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000236F1D32470, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000236F1D38170, 16 bytes long.
Data: <h Óñ6 > 68 88 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000236F1D37B80, 16 bytes long.
Data: <@ Óñ6 > 40 88 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000236F1D379A0, 16 bytes long.
Data: < Óñ6 > 18 88 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000236F1D38440, 16 bytes long.
Data: <ð‡Óñ6 > F0 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000236F1D37C20, 16 bytes long.
Data: <ȇÓñ6 > C8 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000236F1D377C0, 16 bytes long.
Data: < ‡Óñ6 > A0 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000236F1D37770, 16 bytes long.
Data: < Óñ6 > 00 19 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000236F1D31900, 40 bytes long.
Data: <pwÓñ6 ŒÓñ6 > 70 77 D3 F1 36 02 00 00 80 8C D3 F1 36 02 00 00
{257} normal block at 0x00000236F1D37E00, 16 bytes long.
Data: < ‡Óñ6 > 80 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000236F1D37900, 16 bytes long.
Data: <X‡Óñ6 > 58 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000236F1D32350, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000236F1D37A40, 16 bytes long.
Data: <0‡Óñ6 > 30 87 D3 F1 36 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000236F1D38730, 992 bytes long.
Data: <@zÓñ6 P#Óñ6 > 40 7A D3 F1 36 02 00 00 50 23 D3 F1 36 02 00 00
{89} normal block at 0x00000236F1D328F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000236F1D2FFF0, 16 bytes long.
Data: <ÐÅÑñ6 > D0 C5 D1 F1 36 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000236F1D1C5D0, 40 bytes long.
Data: <ð Òñ6 ð(Óñ6 > F0 FF D2 F1 36 02 00 00 F0 28 D3 F1 36 02 00 00
{66} normal block at 0x00000236F1D30090, 16 bytes long.
Data: < ê ìö > 80 EA 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000236F1D30130, 16 bytes long.
Data: <@é ìö > 40 E9 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000236F1D30D60, 16 bytes long.
Data: <øWìö > F8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000236F1D30810, 16 bytes long.
Data: <ØWìö > D8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000236F1D30E00, 16 bytes long.
Data: <P ìö > 50 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000236F1D306D0, 16 bytes long.
Data: <0 ìö > 30 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000236F1D308B0, 16 bytes long.
Data: <à ìö > E0 02 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000236F1D30450, 16 bytes long.
Data: < ìö > 10 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000236F1D30680, 16 bytes long.
Data: <p ìö > 70 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000236F1D30D10, 16 bytes long.
Data: < À‹ìö > 18 C0 8B EC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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