Task 38696297

Name test_499-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2138_0
Workunit 31636938
Created 31 Oct 2026, 21:52:13 UTC
Sent 31 Oct 2026, 21:52:20 UTC
Report deadline 5 Nov 2026, 21:52:20 UTC
Received 1 Nov 2026, 0:34:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 47 min 14 sec
CPU time 45 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.55 MB
Peak swap size 12.97 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
00:21:26 (24632): wrapper (7.9.26016): starting
00:21:26 (24632): 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
00:21:27 (24632): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:21:27 (24632): 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:\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:\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
01:06:38 (24632): C:/Windows/system32/cmd.exe exited; CPU time 2700.890625
01:06:38 (24632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 46385465 bytes.
Dumping objects ->
{3835301} normal block at 0x000001E4AE5C4D50, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x000001E4B0400BB0, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x000001E4B0400A90, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x000001E4B0401E10, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x000001E4B0401C30, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x000001E4AE5C4CE0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x000001E4B03CE300, 102 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) : {3835212} normal block at 0x000001E4AE5BFB40, 8 bytes long.
 Data: <  &#202;&#174;&#228;   > 00 00 CA AE E4 01 00 00 
{3834573} normal block at 0x000001E4B03CE250, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001E4AE5BFDC0, 8 bytes long.
 Data: <&#240;HD&#176;&#228;   > F0 48 44 B0 E4 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001E4AE5B7990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E4AE5AF1C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001E4AE5C56E0, 16 bytes long.
 Data: < U\&#174;&#228;           > 98 55 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E4AE5C5B40, 16 bytes long.
 Data: <pU\&#174;&#228;           > 70 55 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E4AE5C0A30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001E4AE5C58C0, 16 bytes long.
 Data: <HU\&#174;&#228;           > 48 55 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E4AE5C5BE0, 16 bytes long.
 Data: < U\&#174;&#228;           > 20 55 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E4AE5C62C0, 16 bytes long.
 Data: <&#248;T\&#174;&#228;           > F8 54 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E4AE5C5870, 16 bytes long.
 Data: <&#208;T\&#174;&#228;           > D0 54 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E4AE5C4C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001E4AE5C61D0, 16 bytes long.
 Data: <8&#179;Z&#174;&#228;           > 38 B3 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E4AE5C0F70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001E4AE5C6310, 16 bytes long.
 Data: < &#179;Z&#174;&#228;           > 10 B3 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E4AE5C6590, 16 bytes long.
 Data: <&#232;&#178;Z&#174;&#228;           > E8 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E4AE5C5820, 16 bytes long.
 Data: <&#192;&#178;Z&#174;&#228;           > C0 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E4AE5C5D70, 16 bytes long.
 Data: < &#178;Z&#174;&#228;           > 98 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E4AE5C5A50, 16 bytes long.
 Data: <p&#178;Z&#174;&#228;           > 70 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E4AE5C59B0, 16 bytes long.
 Data: <H&#178;Z&#174;&#228;           > 48 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E4AE5C0D30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001E4AE5C5F50, 16 bytes long.
 Data: < &#178;Z&#174;&#228;           > 20 B2 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E4AE5AB220, 320 bytes long.
 Data: <P_\&#174;&#228;   0 \&#174;&#228;   > 50 5F 5C AE E4 01 00 00 30 0D 5C AE E4 01 00 00 
{266} normal block at 0x000001E4AE5C6180, 16 bytes long.
 Data: <&#176;T\&#174;&#228;           > B0 54 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E4AE5C6270, 16 bytes long.
 Data: < T\&#174;&#228;           > 88 54 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E4AE5C0DF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001E4AE5C6130, 16 bytes long.
 Data: <`T\&#174;&#228;           > 60 54 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E4AE5C1150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001E4AE5C60E0, 16 bytes long.
 Data: <&#168;S\&#174;&#228;           > A8 53 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E4AE5C6220, 16 bytes long.
 Data: < S\&#174;&#228;           > 80 53 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E4AE5C5730, 16 bytes long.
 Data: <XS\&#174;&#228;           > 58 53 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E4AE5C5960, 16 bytes long.
 Data: <0S\&#174;&#228;           > 30 53 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E4AE5BFBE0, 16 bytes long.
 Data: < S\&#174;&#228;           > 08 53 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E4AE5BF460, 16 bytes long.
 Data: <&#224;R\&#174;&#228;           > E0 52 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E4AE5BFA00, 16 bytes long.
 Data: <@Q\&#174;&#228;           > 40 51 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E4AE5C5140, 40 bytes long.
 Data: < &#250;[&#174;&#228;   &#224;L\&#174;&#228;   > 00 FA 5B AE E4 01 00 00 E0 4C 5C AE E4 01 00 00 
{252} normal block at 0x000001E4AE5BF410, 16 bytes long.
 Data: <&#192;R\&#174;&#228;           > C0 52 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E4AE5C0040, 16 bytes long.
 Data: < R\&#174;&#228;           > 98 52 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E4AE5C09D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001E4AE5BF6E0, 16 bytes long.
 Data: <pR\&#174;&#228;           > 70 52 5C AE E4 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001E4AE5C5270, 992 bytes long.
 Data: <&#224;&#246;[&#174;&#228;   &#208;	\&#174;&#228;   > E0 F6 5B AE E4 01 00 00 D0 09 5C AE E4 01 00 00 
{84} normal block at 0x000001E4AE5C0A90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001E4AE5BF5A0, 16 bytes long.
 Data: < &#197;Z&#174;&#228;           > 10 C5 5A AE E4 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E4AE5AC510, 40 bytes long.
 Data: <&#160;&#245;[&#174;&#228;     \&#174;&#228;   > A0 F5 5B AE E4 01 00 00 90 0A 5C AE E4 01 00 00 
{61} normal block at 0x000001E4AE5BFD20, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E4AE5BFAF0, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E4AE5BF5F0, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E4AE5BFC80, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E4AE5C01D0, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E4AE5C00E0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E4AE5BF730, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E4AE5BF550, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001E4AE5BFE10, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001E4AE5BFA50, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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