Task 38686098
| Name | test_321-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3331_0 |
| Workunit | 31627542 |
| Created | 28 Oct 2026, 0:39:45 UTC |
| Sent | 28 Oct 2026, 0:39:51 UTC |
| Report deadline | 2 Nov 2026, 0:39:51 UTC |
| Received | 28 Oct 2026, 1:40:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648092 |
| Run time | 20 min 58 sec |
| CPU time | 20 min 36 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,700.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.91 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:17:00 (12920): wrapper (7.9.26016): starting
20:17:00 (12920): 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
20:17:01 (12920): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:17:01 (12920): 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\0\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\0\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
20:37:25 (12920): C:/Windows/system32/cmd.exe exited; CPU time 1236.375000
20:37:25 (12920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 bytes in 8 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: 15223211 bytes.
Dumping objects ->
{3835569} normal block at 0x00000146A48240D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x00000146A4823E30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x00000146A4824220, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x00000146A4824370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x00000146A4823FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x00000146A6546030, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835483} normal block at 0x00000146A48FED10, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835480} normal block at 0x00000146A481E3F0, 8 bytes long.
Data: < ¤F > 00 00 C2 A4 46 01 00 00
{3834703} normal block at 0x00000146A48FEBE0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000146A481E350, 8 bytes long.
Data: < EZ¦F > 10 45 5A A6 46 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000146A4820CD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000146A4815DF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000146A4824800, 16 bytes long.
Data: <X]‚¤F > 58 5D 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000146A4825430, 16 bytes long.
Data: <0]‚¤F > 30 5D 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000146A481F4A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000146A4824DF0, 16 bytes long.
Data: < ]‚¤F > 08 5D 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000146A48248A0, 16 bytes long.
Data: <à\‚¤F > E0 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000146A4824D50, 16 bytes long.
Data: <¸\‚¤F > B8 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000146A4824EE0, 16 bytes long.
Data: < \‚¤F > 90 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000146A4818E90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000146A4824E90, 16 bytes long.
Data: <(Ž ¤F > 28 8E 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000146A481F3E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000146A4824D00, 16 bytes long.
Data: < Ž ¤F > 00 8E 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000146A4824710, 16 bytes long.
Data: <Ø ¤F > D8 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000146A48255C0, 16 bytes long.
Data: <° ¤F > B0 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000146A4825160, 16 bytes long.
Data: < ¤F > 88 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000146A48253E0, 16 bytes long.
Data: <` ¤F > 60 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000146A4824C10, 16 bytes long.
Data: <8 ¤F > 38 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000146A481F320, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000146A4824BC0, 16 bytes long.
Data: < ¤F > 10 8D 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000146A4818D10, 320 bytes long.
Data: <ÀK‚¤F ó ¤F > C0 4B 82 A4 46 01 00 00 20 F3 81 A4 46 01 00 00
{273} normal block at 0x00000146A4824F80, 16 bytes long.
Data: <p\‚¤F > 70 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000146A4824760, 16 bytes long.
Data: <H\‚¤F > 48 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000146A481FCE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000146A4824FD0, 16 bytes long.
Data: < \‚¤F > 20 5C 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000146A481FE00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000146A48251B0, 16 bytes long.
Data: <h[‚¤F > 68 5B 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000146A4825340, 16 bytes long.
Data: <@[‚¤F > 40 5B 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000146A4825110, 16 bytes long.
Data: < [‚¤F > 18 5B 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000146A4824F30, 16 bytes long.
Data: <ðZ‚¤F > F0 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000146A4824E40, 16 bytes long.
Data: <ÈZ‚¤F > C8 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000146A4824B20, 16 bytes long.
Data: < Z‚¤F > A0 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000146A4824C60, 16 bytes long.
Data: <À4 ¤F > C0 34 81 A4 46 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000146A48134C0, 40 bytes long.
Data: <`L‚¤F 0`T¦F > 60 4C 82 A4 46 01 00 00 30 60 54 A6 46 01 00 00
{259} normal block at 0x00000146A48247B0, 16 bytes long.
Data: < Z‚¤F > 80 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000146A48250C0, 16 bytes long.
Data: <XZ‚¤F > 58 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000146A481FDA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000146A4825390, 16 bytes long.
Data: <0Z‚¤F > 30 5A 82 A4 46 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000146A4825A30, 992 bytes long.
Data: < S‚¤F  ý ¤F > 90 53 82 A4 46 01 00 00 A0 FD 81 A4 46 01 00 00
{91} normal block at 0x00000146A481F680, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000146A481E7B0, 16 bytes long.
Data: < Û ¤F > A0 DB 80 A4 46 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000146A480DBA0, 40 bytes long.
Data: <°ç ¤F ö ¤F > B0 E7 81 A4 46 01 00 00 80 F6 81 A4 46 01 00 00
{68} normal block at 0x00000146A481F200, 16 bytes long.
Data: < ꮼö > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000146A481EC60, 16 bytes long.
Data: <@鮼ö > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000146A481E580, 16 bytes long.
Data: <øW«¼ö > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000146A481EE40, 16 bytes long.
Data: <ØW«¼ö > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000146A481EB70, 16 bytes long.
Data: <P «¼ö > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000146A481EF80, 16 bytes long.
Data: <0 «¼ö > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000146A481E800, 16 bytes long.
Data: <à «¼ö > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000146A481E760, 16 bytes long.
Data: < «¼ö > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000146A481E490, 16 bytes long.
Data: <p «¼ö > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000146A481E3A0, 16 bytes long.
Data: < À©¼ö > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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