Task 38661219
| Name | test_937-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5812_0 |
| Workunit | 31604651 |
| Created | 24 Oct 2026, 15:24:12 UTC |
| Sent | 24 Oct 2026, 15:32:42 UTC |
| Report deadline | 29 Oct 2026, 15:32:42 UTC |
| Received | 24 Oct 2026, 16:14:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631893 |
| Run time | 32 min 8 sec |
| CPU time | 30 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,670.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.51 MB |
| Peak swap size | 9.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:43:10 (7020): wrapper (7.9.26016): starting
10:43:10 (7020): 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
10:43:12 (7020): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:43:12 (7020): 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\1\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\1\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
11:13:43 (7020): C:/Windows/system32/cmd.exe exited; CPU time 1804.406250
11:13:43 (7020): 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: 29860259 bytes.
Dumping objects ->
{3835441} normal block at 0x000001BCD6E86BD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835430} normal block at 0x000001BCD6E86B60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x000001BCD6E86AF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835408} normal block at 0x000001BCD6E86A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835397} normal block at 0x000001BCD6E869A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835366} normal block at 0x000001BCD8BB8160, 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) : {3835353} normal block at 0x000001BCD6E7E8D0, 8 bytes long.
Data: < åÖ¼ > 00 00 E5 D6 BC 01 00 00
{3833965} normal block at 0x000001BCD6E7E880, 8 bytes long.
Data: < ßæÖ¼ > 90 DF E6 D6 BC 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001BCD6E7EDF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001BCD6E76B20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001BCD6E87630, 16 bytes long.
Data: <H†èÖ¼ > 48 86 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BCD6E87590, 16 bytes long.
Data: < †èÖ¼ > 20 86 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001BCD6E80A60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001BCD6E88210, 16 bytes long.
Data: <ø…èÖ¼ > F8 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BCD6E87DB0, 16 bytes long.
Data: <Ð…èÖ¼ > D0 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BCD6E878B0, 16 bytes long.
Data: <¨…èÖ¼ > A8 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BCD6E88030, 16 bytes long.
Data: < …èÖ¼ > 80 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BCD6E86D90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001BCD6E874F0, 16 bytes long.
Data: <èúæÖ¼ > E8 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BCD6E807C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001BCD6E87860, 16 bytes long.
Data: <ÀúæÖ¼ > C0 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BCD6E87B30, 16 bytes long.
Data: < úæÖ¼ > 98 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BCD6E87AE0, 16 bytes long.
Data: <púæÖ¼ > 70 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BCD6E876D0, 16 bytes long.
Data: <HúæÖ¼ > 48 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BCD6E88260, 16 bytes long.
Data: < úæÖ¼ > 20 FA E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BCD6E87400, 16 bytes long.
Data: <øùæÖ¼ > F8 F9 E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BCD6E809A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001BCD6E874A0, 16 bytes long.
Data: <ÐùæÖ¼ > D0 F9 E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BCD6E6F9D0, 320 bytes long.
Data: < tèÖ¼   èÖ¼ > A0 74 E8 D6 BC 01 00 00 A0 09 E8 D6 BC 01 00 00
{278} normal block at 0x000001BCD6E875E0, 16 bytes long.
Data: <`…èÖ¼ > 60 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BCD6E87C70, 16 bytes long.
Data: <8…èÖ¼ > 38 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BCD6E80760, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001BCD6E87BD0, 16 bytes long.
Data: < …èÖ¼ > 10 85 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BCD6E80C40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001BCD6E87D10, 16 bytes long.
Data: <X„èÖ¼ > 58 84 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BCD6E880D0, 16 bytes long.
Data: <0„èÖ¼ > 30 84 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BCD6E87720, 16 bytes long.
Data: < „èÖ¼ > 08 84 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BCD6E87450, 16 bytes long.
Data: <àƒèÖ¼ > E0 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BCD6E87680, 16 bytes long.
Data: <¸ƒèÖ¼ > B8 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BCD6E87540, 16 bytes long.
Data: < ƒèÖ¼ > 90 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BCD6E877C0, 16 bytes long.
Data: <ÀoèÖ¼ > C0 6F E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BCD6E86FC0, 40 bytes long.
Data: <ÀwèÖ¼ ` »Ø¼ > C0 77 E8 D6 BC 01 00 00 60 81 BB D8 BC 01 00 00
{264} normal block at 0x000001BCD6E87B80, 16 bytes long.
Data: <pƒèÖ¼ > 70 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BCD6E879A0, 16 bytes long.
Data: <HƒèÖ¼ > 48 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BCD6E805E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001BCD6E87360, 16 bytes long.
Data: < ƒèÖ¼ > 20 83 E8 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BCD6E88320, 992 bytes long.
Data: <`sèÖ¼ à èÖ¼ > 60 73 E8 D6 BC 01 00 00 E0 05 E8 D6 BC 01 00 00
{96} normal block at 0x000001BCD6E80280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001BCD6E7DB60, 16 bytes long.
Data: < ÎæÖ¼ > 90 CE E6 D6 BC 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001BCD6E6CE90, 40 bytes long.
Data: <`ÛçÖ¼ èÖ¼ > 60 DB E7 D6 BC 01 00 00 80 02 E8 D6 BC 01 00 00
{73} normal block at 0x000001BCD6E7E1A0, 16 bytes long.
Data: < ê Gö > 80 EA 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BCD6E7E650, 16 bytes long.
Data: <@é Gö > 40 E9 17 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BCD6E7E2E0, 16 bytes long.
Data: <øW Gö > F8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BCD6E7EAB0, 16 bytes long.
Data: <ØW Gö > D8 57 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BCD6E7E830, 16 bytes long.
Data: <P Gö > 50 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BCD6E7E7E0, 16 bytes long.
Data: <0 Gö > 30 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BCD6E7E790, 16 bytes long.
Data: <à Gö > E0 02 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BCD6E7E560, 16 bytes long.
Data: < Gö > 10 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BCD6E7EA60, 16 bytes long.
Data: <p Gö > 70 04 14 47 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BCD6E7E600, 16 bytes long.
Data: < À Gö > 18 C0 12 47 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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