Task 38699496
| Name | test_750-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8269_0 |
| Workunit | 31639893 |
| Created | 4 Nov 2026, 12:03:48 UTC |
| Sent | 4 Nov 2026, 12:03:53 UTC |
| Report deadline | 9 Nov 2026, 12:03:53 UTC |
| Received | 4 Nov 2026, 13:05:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631001 |
| Run time | 1 hours 1 min 15 sec |
| CPU time | 56 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,074.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.89 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 4.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:06:41 (33576): wrapper (7.9.26016): starting
07:06:41 (33576): 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
07:06:42 (33576): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:06:42 (33576): 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\21\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\21\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
08:05:21 (33576): C:/Windows/system32/cmd.exe exited; CPU time 3401.843750
08:05:21 (33576): 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: 69037313 bytes.
Dumping objects ->
{3835430} normal block at 0x00000207B1A6C460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835419} normal block at 0x00000207AFD44560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835408} normal block at 0x00000207AFD44410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835397} normal block at 0x00000207AFD449C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835386} normal block at 0x00000207AFD444F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835355} normal block at 0x00000207B1AB5B70, 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) : {3835342} normal block at 0x00000207AFD3FC20, 8 bytes long.
Data: < ͯ > 00 00 CD AF 07 02 00 00
{3833959} normal block at 0x00000207AFD40260, 8 bytes long.
Data: < 9±± > A0 39 B1 B1 07 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000207AFD40550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000207AFD2EA70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000207AFD454A0, 16 bytes long.
Data: < RÔ¯ > 18 52 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000207AFD45B30, 16 bytes long.
Data: <ðQÔ¯ > F0 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000207AFD3EC90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000207AFD45BD0, 16 bytes long.
Data: <ÈQÔ¯ > C8 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000207AFD45DB0, 16 bytes long.
Data: < QÔ¯ > A0 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000207AFD45540, 16 bytes long.
Data: <xQÔ¯ > 78 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000207AFD45F90, 16 bytes long.
Data: <PQÔ¯ > 50 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000207AFD44A30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000207AFD45F40, 16 bytes long.
Data: <8µÒ¯ > 38 B5 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000207AFD3E5D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000207AFD45EF0, 16 bytes long.
Data: < µÒ¯ > 10 B5 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000207AFD45810, 16 bytes long.
Data: <è´Ò¯ > E8 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000207AFD45360, 16 bytes long.
Data: <À´Ò¯ > C0 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000207AFD45FE0, 16 bytes long.
Data: < ´Ò¯ > 98 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000207AFD45720, 16 bytes long.
Data: <p´Ò¯ > 70 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000207AFD45D60, 16 bytes long.
Data: <H´Ò¯ > 48 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000207AFD3E510, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000207AFD45950, 16 bytes long.
Data: < ´Ò¯ > 20 B4 D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000207AFD2B420, 320 bytes long.
Data: <PYÔ¯ åÓ¯ > 50 59 D4 AF 07 02 00 00 10 E5 D3 AF 07 02 00 00
{275} normal block at 0x00000207AFD45860, 16 bytes long.
Data: <0QÔ¯ > 30 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000207AFD45D10, 16 bytes long.
Data: < QÔ¯ > 08 51 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000207AFD3E450, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000207AFD454F0, 16 bytes long.
Data: <àPÔ¯ > E0 50 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000207AFD3F230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000207AFD45A40, 16 bytes long.
Data: <(PÔ¯ > 28 50 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000207AFD45450, 16 bytes long.
Data: < PÔ¯ > 00 50 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000207AFD45CC0, 16 bytes long.
Data: <ØOÔ¯ > D8 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000207AFD45B80, 16 bytes long.
Data: <°OÔ¯ > B0 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000207AFD46030, 16 bytes long.
Data: < OÔ¯ > 88 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000207AFD3FB80, 16 bytes long.
Data: <`OÔ¯ > 60 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000207AFD3FB30, 16 bytes long.
Data: <°FÔ¯ > B0 46 D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000207AFD446B0, 40 bytes long.
Data: <0ûÓ¯ p[«± > 30 FB D3 AF 07 02 00 00 70 5B AB B1 07 02 00 00
{261} normal block at 0x00000207AFD3F9F0, 16 bytes long.
Data: <@OÔ¯ > 40 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000207AFD3F9A0, 16 bytes long.
Data: < OÔ¯ > 18 4F D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000207AFD3EF90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000207AFD3F8B0, 16 bytes long.
Data: <ðNÔ¯ > F0 4E D4 AF 07 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000207AFD44EF0, 992 bytes long.
Data: <°øÓ¯ ïÓ¯ > B0 F8 D3 AF 07 02 00 00 90 EF D3 AF 07 02 00 00
{93} normal block at 0x00000207AFD3ED50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000207AFD3F860, 16 bytes long.
Data: < ßÒ¯ > 90 DF D2 AF 07 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000207AFD2DF90, 40 bytes long.
Data: <`øÓ¯ PíÓ¯ > 60 F8 D3 AF 07 02 00 00 50 ED D3 AF 07 02 00 00
{70} normal block at 0x00000207AFD3F810, 16 bytes long.
Data: < ê #ö > 80 EA 03 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000207AFD40210, 16 bytes long.
Data: <@é #ö > 40 E9 03 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000207AFD40030, 16 bytes long.
Data: <øW #ö > F8 57 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000207AFD3FFE0, 16 bytes long.
Data: <ØW #ö > D8 57 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000207AFD40120, 16 bytes long.
Data: <P #ö > 50 04 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000207AFD3F400, 16 bytes long.
Data: <0 #ö > 30 04 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000207AFD3FE00, 16 bytes long.
Data: <à #ö > E0 02 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000207AFD40080, 16 bytes long.
Data: < #ö > 10 04 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000207AFD3F7C0, 16 bytes long.
Data: <p #ö > 70 04 00 23 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000207AFD3F900, 16 bytes long.
Data: < Àþ"ö > 18 C0 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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