Task 38652967
| Name | test_988-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND3631_0 |
| Workunit | 31597021 |
| Created | 24 Oct 2026, 4:49:39 UTC |
| Sent | 24 Oct 2026, 5:17:43 UTC |
| Report deadline | 29 Oct 2026, 5:17:43 UTC |
| Received | 24 Oct 2026, 7:01:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647196 |
| Run time | 1 hours 29 min 33 sec |
| CPU time | 1 hours 17 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,219.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.52 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:36:02 (31636): wrapper (7.9.26016): starting
00:36:02 (31636): 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
00:36:04 (31636): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:36:04 (31636): 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
02:01:13 (31636): C:/Windows/system32/cmd.exe exited; CPU time 4652.296875
02:01:13 (31636): 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: 94357145 bytes.
Dumping objects ->
{3835428} normal block at 0x000002659D80D500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000002659BAF48C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x000002659BAF47E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x000002659BAF4D90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x000002659BAF4BD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x000002659D85A500, 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) : {3835340} normal block at 0x000002659BAEFB20, 8 bytes long.
Data: < ø›e > 00 00 F8 9B 65 02 00 00
{3833957} normal block at 0x000002659BAF04D0, 8 bytes long.
Data: <Pë¼›e > 50 EB BC 9B 65 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002659BAE5FB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002659BAE79C0, 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 0x000002659BAF5D40, 16 bytes long.
Data: < e¯›e > 88 65 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002659BAF5CF0, 16 bytes long.
Data: <`e¯›e > 60 65 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002659BAF0A10, 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 0x000002659BAF5D90, 16 bytes long.
Data: <8e¯›e > 38 65 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002659BAF57F0, 16 bytes long.
Data: < e¯›e > 10 65 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002659BAF54D0, 16 bytes long.
Data: <èd¯›e > E8 64 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002659BAF6150, 16 bytes long.
Data: <Àd¯›e > C0 64 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002659BAF4AF0, 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 0x000002659BAF5C50, 16 bytes long.
Data: <ø ®›e > F8 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002659BAF1430, 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 0x000002659BAF5F70, 16 bytes long.
Data: <Р®›e > D0 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002659BAF5890, 16 bytes long.
Data: <¨ ®›e > A8 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002659BAF5CA0, 16 bytes long.
Data: <  ®›e > 80 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002659BAF58E0, 16 bytes long.
Data: <X ®›e > 58 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002659BAF5700, 16 bytes long.
Data: <0 ®›e > 30 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002659BAF5ED0, 16 bytes long.
Data: <  ®›e > 08 A0 AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002659BAF09B0, 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 0x000002659BAF55C0, 16 bytes long.
Data: <àŸ®›e > E0 9F AE 9B 65 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002659BAE9FE0, 320 bytes long.
Data: <ÀU¯›e ° ¯›e > C0 55 AF 9B 65 02 00 00 B0 09 AF 9B 65 02 00 00
{274} normal block at 0x000002659BAF52F0, 16 bytes long.
Data: < d¯›e > A0 64 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002659BAF6100, 16 bytes long.
Data: <xd¯›e > 78 64 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002659BAF15B0, 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 0x000002659BAF57A0, 16 bytes long.
Data: <Pd¯›e > 50 64 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002659BAF0E90, 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 0x000002659BAF5C00, 16 bytes long.
Data: < c¯›e > 98 63 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002659BAF5BB0, 16 bytes long.
Data: <pc¯›e > 70 63 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002659BAF5A70, 16 bytes long.
Data: <Hc¯›e > 48 63 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002659BAF5B60, 16 bytes long.
Data: < c¯›e > 20 63 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002659BAF5570, 16 bytes long.
Data: <øb¯›e > F8 62 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002659BAF5340, 16 bytes long.
Data: <Ðb¯›e > D0 62 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002659BAF5E80, 16 bytes long.
Data: < I¯›e > A0 49 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002659BAF49A0, 40 bytes long.
Data: < ^¯›e ¥… e > 80 5E AF 9B 65 02 00 00 00 A5 85 9D 65 02 00 00
{260} normal block at 0x000002659BAF5FC0, 16 bytes long.
Data: <°b¯›e > B0 62 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002659BAF5DE0, 16 bytes long.
Data: < b¯›e > 88 62 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002659BAF11F0, 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 0x000002659BAF5750, 16 bytes long.
Data: <`b¯›e > 60 62 AF 9B 65 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002659BAF6260, 992 bytes long.
Data: <PW¯›e 𠯛e > 50 57 AF 9B 65 02 00 00 F0 11 AF 9B 65 02 00 00
{92} normal block at 0x000002659BAF0AD0, 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 0x000002659BAEFB70, 16 bytes long.
Data: <0Ö­›e > 30 D6 AD 9B 65 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002659BADD630, 40 bytes long.
Data: <pû®›e Ð ¯›e > 70 FB AE 9B 65 02 00 00 D0 0A AF 9B 65 02 00 00
{69} normal block at 0x000002659BAEFF30, 16 bytes long.
Data: < ê:‚ö > 80 EA 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002659BAEFA80, 16 bytes long.
Data: <@é:‚ö > 40 E9 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002659BAEFAD0, 16 bytes long.
Data: <øW7‚ö > F8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002659BAEFD50, 16 bytes long.
Data: <ØW7‚ö > D8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002659BAF01B0, 16 bytes long.
Data: <P 7‚ö > 50 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002659BAEFCB0, 16 bytes long.
Data: <0 7‚ö > 30 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002659BAEFEE0, 16 bytes long.
Data: <à 7‚ö > E0 02 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002659BAEFE90, 16 bytes long.
Data: < 7‚ö > 10 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002659BAEF8F0, 16 bytes long.
Data: <p 7‚ö > 70 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002659BAEFFD0, 16 bytes long.
Data: < À5‚ö > 18 C0 35 82 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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