Task 38675953
| Name | test_87-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9344_0 |
| Workunit | 31617895 |
| Created | 26 Oct 2026, 9:49:03 UTC |
| Sent | 26 Oct 2026, 9:49:13 UTC |
| Report deadline | 31 Oct 2026, 9:49:13 UTC |
| Received | 26 Oct 2026, 11:42:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 562809 |
| Run time | 1 hours 51 min 44 sec |
| CPU time | 1 hours 45 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 638.00 MB |
| Peak swap size | 5.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:53:38 (10512): wrapper (7.9.26016): starting
03:53:38 (10512): 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
03:53:41 (10512): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:53:41 (10512): 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\7\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\7\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
05:42:06 (10512): C:/Windows/system32/cmd.exe exited; CPU time 6342.625000
05:42:06 (10512): 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: 74930395 bytes.
Dumping objects ->
{3835251} normal block at 0x0000026C13740BC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x0000026C13740840, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000026C13741560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835218} normal block at 0x0000026C13740D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000026C13741640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835176} normal block at 0x0000026C137EBEC0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000026C11C72440, 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) : {3835162} normal block at 0x0000026C11C66D50, 8 bytes long.
Data: < Á l > 00 00 C1 11 6C 02 00 00
{3834555} normal block at 0x0000026C11C720B0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000026C11C665D0, 8 bytes long.
Data: <° t l > B0 1E 74 13 6C 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000026C11C6FE90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026C11C5AE00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000026C11C70E30, 16 bytes long.
Data: < 3Ç l > 98 33 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026C11C71470, 16 bytes long.
Data: <p3Ç l > 70 33 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026C11C6CBE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000026C11C71010, 16 bytes long.
Data: <H3Ç l > 48 33 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026C11C71BF0, 16 bytes long.
Data: < 3Ç l > 20 33 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C11C713D0, 16 bytes long.
Data: <ø2Ç l > F8 32 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026C11C71830, 16 bytes long.
Data: <Ð2Ç l > D0 32 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026C11C6B4C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000026C11C70DE0, 16 bytes long.
Data: <ØZÅ l > D8 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026C11C6CA00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000026C11C70CF0, 16 bytes long.
Data: <°ZÅ l > B0 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C11C71600, 16 bytes long.
Data: < ZÅ l > 88 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026C11C712E0, 16 bytes long.
Data: <`ZÅ l > 60 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026C11C71B50, 16 bytes long.
Data: <8ZÅ l > 38 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026C11C716F0, 16 bytes long.
Data: < ZÅ l > 10 5A C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026C11C71970, 16 bytes long.
Data: <èYÅ l > E8 59 C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026C11C6C220, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{270} normal block at 0x0000026C11C71510, 16 bytes long.
Data: <ÀYÅ l > C0 59 C5 11 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026C11C559C0, 320 bytes long.
Data: < Ç l ÂÆ l > 10 15 C7 11 6C 02 00 00 20 C2 C6 11 6C 02 00 00
{268} normal block at 0x0000026C11C71290, 16 bytes long.
Data: <°2Ç l > B0 32 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026C11C717E0, 16 bytes long.
Data: < 2Ç l > 88 32 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026C11C6D120, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000026C11C71880, 16 bytes long.
Data: <`2Ç l > 60 32 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026C11C6C580, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000026C11C71B00, 16 bytes long.
Data: <¨1Ç l > A8 31 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026C11C71AB0, 16 bytes long.
Data: < 1Ç l > 80 31 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026C11C70F70, 16 bytes long.
Data: <X1Ç l > 58 31 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026C11C71790, 16 bytes long.
Data: <01Ç l > 30 31 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026C11C71420, 16 bytes long.
Data: < 1Ç l > 08 31 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026C11C71380, 16 bytes long.
Data: <à0Ç l > E0 30 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026C11C70D90, 16 bytes long.
Data: <`°Æ l > 60 B0 C6 11 6C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026C11C6B060, 40 bytes long.
Data: < Ç l À¾~ l > 90 0D C7 11 6C 02 00 00 C0 BE 7E 13 6C 02 00 00
{254} normal block at 0x0000026C11C70ED0, 16 bytes long.
Data: <À0Ç l > C0 30 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000026C11C71BA0, 16 bytes long.
Data: < 0Ç l > 98 30 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026C11C6CE80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000026C11C70D40, 16 bytes long.
Data: <p0Ç l > 70 30 C7 11 6C 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000026C11C73070, 992 bytes long.
Data: <@ Ç l ÎÆ l > 40 0D C7 11 6C 02 00 00 80 CE C6 11 6C 02 00 00
{86} normal block at 0x0000026C11C6CF40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000026C11C66A80, 16 bytes long.
Data: <ð¯Æ l > F0 AF C6 11 6C 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000026C11C6AFF0, 40 bytes long.
Data: < jÆ l @ÏÆ l > 80 6A C6 11 6C 02 00 00 40 CF C6 11 6C 02 00 00
{63} normal block at 0x0000026C11C66D00, 16 bytes long.
Data: < ê&ó÷ > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026C11C66C60, 16 bytes long.
Data: <@é&ó÷ > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026C11C66670, 16 bytes long.
Data: <øW#ó÷ > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026C11C66C10, 16 bytes long.
Data: <ØW#ó÷ > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026C11C66760, 16 bytes long.
Data: <P #ó÷ > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026C11C66E90, 16 bytes long.
Data: <0 #ó÷ > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026C11C66530, 16 bytes long.
Data: <à #ó÷ > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026C11C66580, 16 bytes long.
Data: < #ó÷ > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000026C11C662B0, 16 bytes long.
Data: <p #ó÷ > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026C11C66B70, 16 bytes long.
Data: < À!ó÷ > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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